N-[(Z)-[(4-chlorophenyl)-(4-nitrophenyl)methylidene]amino]aniline
Formula:C19H14N3O2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[(4-chlorophenyl)-(4-nitrophenyl)methylidene]amino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-[(4-chlorophenyl)-(4-nitrophenyl)methylidene]amino]aniline |
| MolecularFormula | C19H14N3O2Cl |
| Smiles | [O-][N+](c(cc1)ccc1/C(/c(cc1)ccc1Cl)=N/Nc1ccccc1)=O |
| InChI | InChI=1S/C19H14ClN3O2/c20-16-10-6-14(7-11-16)19(22-21-17-4-2-1-3-5-17)15-8-12-18(13-9-15)23(24)25/h1-13,21H |
| InChIK | RVADDMIWYPTPGI-UHFFFAOYSA-N |
| TotalMolweight | 351.792 |
| Molweight | 351.792 |
| MonoisotopicMass | 351.077454 |
| CLogP | 5.722 |
| CLogS | -6.121 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 266.3 |
| Relative PSA | 0.20049 |
| PolarSurfaceArea | 70.21 |
| Druglikeness | -4.069 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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