3-[cyclohexyl-[(3E)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]amino]propanenitrile
Formula:C16H25N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[cyclohexyl-[(3E)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]amino]propanenitrile is a drug-like molecule.
| MolName | 3-[cyclohexyl-[(3E)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]amino]propanenitrile |
| MolecularFormula | C16H25N3O |
| Smiles | N#CCCN(C(C1CC2CC1)/C2=N/O)C1CCCCC1 |
| InChI | InChI=1S/C16H25N3O/c17-9-4-10-19(14-5-2-1-3-6-14)16-13-8-7-12(11-13)15(16)18-20/h12-14,16,20H,1-8,10-11H2 |
| InChIK | YZYKJTKIKCXYAE-UHFFFAOYSA-N |
| TotalMolweight | 275.395 |
| Molweight | 275.395 |
| MonoisotopicMass | 275.199762 |
| CLogP | 2.8985 |
| CLogS | -3.836 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 221.93 |
| Relative PSA | 0.18799 |
| PolarSurfaceArea | 59.62 |
| Druglikeness | -10.128 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Sp3Atoms | 16 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
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1 - 3-[cyclohexyl-[(3E)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]amino]propanenitrile | 2 - 3-[cyclohexyl-[(3E)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]amino]propanenitrile
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