Octadecanenitrile
PubChem CID: 12532
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| Compound Synonyms | Stearonitrile, Octadecanenitrile, 638-65-3, OCTADECANONITRILE, Heptadecyl cyanide, 1-Cyanoheptadecane, Oktadekannitril, Nitril kyseliny stearove, Stearinsaeurenitril, Octadecanoic acid, nitrile, Stearinsaeurenitril [German], HSDB 5735, UNII-QXY19Q5N5I, NSC 5541, EINECS 211-345-3, BRN 0972464, DTXSID4027280, AI3-14660, NSC-5541, N-OCTADECANONITRILE, MFCD00001947, QXY19Q5N5I, DTXCID507280, CHEBI:133638, Oktadekannitril [Czech], Nitril kyseliny stearove [Czech], 1Cyanoheptadecane, Nitril kyseliny stearove [Czech], WLN: NC17, SCHEMBL345850, CHEMBL1871991, NSC5541, Tox21_202559, AKOS028108374, Stearonitrile, technical grade, >=90%, NCGC00164046-01, NCGC00260108-01, AS-87671, CAS-638-65-3, SY051494, DB-256130, HY-127052, NS00022608, D92228, Q27287554 |
|---|---|
| Topological Polar Surface Area | 23.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 201.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P04150 |
| Iupac Name | octadecanenitrile |
| Prediction Hob | 1.0 |
| Xlogp | 8.0 |
| Molecular Formula | C18H35N |
| Prediction Swissadme | 0.0 |
| Inchi Key | RHSBIGNQEIPSCT-UHFFFAOYSA-N |
| Fcsp3 | 0.9444444444444444 |
| Logs | -6.994 |
| Rotatable Bond Count | 15.0 |
| Logd | 4.224 |
| Compound Name | Octadecanenitrile |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 265.277 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 265.277 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 265.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.529706999999999 |
| Inchi | InChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-17H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCC#N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arabidopsis Thaliana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all