Mrv0541 02231219312D          

 19 18  0  0  0  0            999 V2000
   22.8663  -12.4780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.2967  -11.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5822  -11.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0112  -11.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8677  -11.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7257  -11.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1532  -11.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4401  -11.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4388  -11.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1547  -11.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7242  -11.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8691  -11.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0098  -11.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5836  -11.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2953  -11.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2981  -11.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5808  -11.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0126  -11.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8663  -11.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0086965

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCCCCC=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3

> <INCHI_KEY>
FWWQKRXKHIRPJY-UHFFFAOYSA-N

> <FORMULA>
C18H36O

> <MOLECULAR_WEIGHT>
268.4778

> <EXACT_MASS>
268.276615774

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
37.6525245745386

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
octadecanal

> <ALOGPS_LOGP>
8.39

> <JCHEM_LOGP>
6.987103855333334

> <ALOGPS_LOGS>
-7.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.55551402037299

> <JCHEM_PKA_STRONGEST_BASIC>
-6.944305999531455

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
85.36019999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.22e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
octadecanal

> <JCHEM_VEBER_RULE>
0

> <NP-MRD_ID>
NP0086965

> <GENERIC_NAME>
Stearaldehyde

$$$$