N'-[(E)-3-cyclohexylprop-1-enyl]naphthalene-1-carbohydrazide
Formula:C20H24N2O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N'-[(E)-3-cyclohexylprop-1-enyl]naphthalene-1-carbohydrazide is a drug-like molecule.
| MolName | N'-[(E)-3-cyclohexylprop-1-enyl]naphthalene-1-carbohydrazide |
| MolecularFormula | C20H24N2O |
| Smiles | O=C(c1cccc2ccccc12)NN/C=C/CC1CCCCC1 |
| InChI | InChI=1S/C20H24N2O/c23-20(19-14-6-12-17-11-4-5-13-18(17)19)22-21-15-7-10-16-8-2-1-3-9-16/h4-7,11-16,21H,1-3,8-10H2,(H,22,23) |
| InChIK | LDDXBVDHPCQWOQ-UHFFFAOYSA-N |
| TotalMolweight | 308.424 |
| Molweight | 308.424 |
| MonoisotopicMass | 308.188863 |
| CLogP | 3.7243 |
| CLogS | -5.854 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 256.59 |
| Relative PSA | 0.14015 |
| PolarSurfaceArea | 41.13 |
| Druglikeness | -3.0441 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| StereoCon |
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