N-[(Z)-cyclohexylmethylideneamino]-4-nitroaniline
Formula:C13H17N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-cyclohexylmethylideneamino]-4-nitroaniline is a drug-like molecule.
| MolName | N-[(Z)-cyclohexylmethylideneamino]-4-nitroaniline |
| MolecularFormula | C13H17N3O2 |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C\C1CCCCC1)=O |
| InChI | InChI=1S/C13H17N3O2/c17-16(18)13-8-6-12(7-9-13)15-14-10-11-4-2-1-3-5-11/h6-11,15H,1-5H2 |
| InChIK | YKTUJYQQMTVDMB-UHFFFAOYSA-N |
| TotalMolweight | 247.297 |
| Molweight | 247.297 |
| MonoisotopicMass | 247.132077 |
| CLogP | 3.5087 |
| CLogS | -3.687 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 200.95 |
| Relative PSA | 0.26569 |
| PolarSurfaceArea | 70.21 |
| Druglikeness | -7.8794 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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