N-[(Z)-[(4-chlorophenyl)-cyclopropylmethylidene]amino]-4-nitroaniline
Formula:C16H14N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(4-chlorophenyl)-cyclopropylmethylidene]amino]-4-nitroaniline is a drug-like molecule.
| MolName | N-[(Z)-[(4-chlorophenyl)-cyclopropylmethylidene]amino]-4-nitroaniline |
| MolecularFormula | C16H14N3O2Cl |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C(/C1CC1)\c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C16H14ClN3O2/c17-13-5-3-12(4-6-13)16(11-1-2-11)19-18-14-7-9-15(10-8-14)20(21)22/h3-11,18H,1-2H2 |
| InChIK | JLXYATQMXKQMPS-UHFFFAOYSA-N |
| TotalMolweight | 315.759 |
| Molweight | 315.759 |
| MonoisotopicMass | 315.077454 |
| CLogP | 4.7813 |
| CLogS | -5.221 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 233.06 |
| Relative PSA | 0.22908 |
| PolarSurfaceArea | 70.21 |
| Druglikeness | -2.9643 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[(4-chlorophenyl)-cyclopropylmethylidene]amino]-4-nitroaniline | 2 - N-[(Z)-[(4-chlorophenyl)-cyclopropylmethylidene]amino]-4-nitroaniline
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