N-[(Z)-[(2-chlorophenyl)-phenylmethylidene]amino]-4-nitroaniline
Formula:C19H14N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(2-chlorophenyl)-phenylmethylidene]amino]-4-nitroaniline is not a drug-like molecule.
| MolName | N-[(Z)-[(2-chlorophenyl)-phenylmethylidene]amino]-4-nitroaniline |
| MolecularFormula | C19H14N3O2Cl |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C(/c1ccccc1)\c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C19H14ClN3O2/c20-18-9-5-4-8-17(18)19(14-6-2-1-3-7-14)22-21-15-10-12-16(13-11-15)23(24)25/h1-13,21H |
| InChIK | ZNQMOWMODJEGLB-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 | none |
| 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 | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[(2-chlorophenyl)-phenylmethylidene]amino]-4-nitroaniline | 2 - N-[(Z)-[(2-chlorophenyl)-phenylmethylidene]amino]-4-nitroaniline
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