4-cyclohexyl-N-[(E)-3-(4-cyclohexylphenyl)imino-2-nitroprop-1-enyl]aniline
Formula:C27H33N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-cyclohexyl-N-[(E)-3-(4-cyclohexylphenyl)imino-2-nitroprop-1-enyl]aniline is not a drug-like molecule.
| MolName | 4-cyclohexyl-N-[(E)-3-(4-cyclohexylphenyl)imino-2-nitroprop-1-enyl]aniline |
| MolecularFormula | C27H33N3O2 |
| Smiles | [O-][N+](/C(/C=N/c1ccc(C2CCCCC2)cc1)=C/Nc1ccc(C2CCCCC2)cc1)=O |
| InChI | InChI=1S/C27H33N3O2/c31-30(32)27(19-28-25-15-11-23(12-16-25)21-7-3-1-4-8-21)20-29-26-17-13-24(14-18-26)22-9-5-2-6-10-22/h11-22,28H,1-10H2 |
| InChIK | LEOQHCSULHBRTG-UHFFFAOYSA-N |
| TotalMolweight | 431.578 |
| Molweight | 431.578 |
| MonoisotopicMass | 431.257277 |
| CLogP | 5.7242 |
| CLogS | -7.288 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 353.22 |
| Relative PSA | 0.15115 |
| PolarSurfaceArea | 70.21 |
| Druglikeness | -9.5505 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 13 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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