[(Z)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-phenylbenzoate
Formula:C21H17N2O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(Z)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-phenylbenzoate is not a drug-like molecule.
| MolName | [(Z)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-phenylbenzoate |
| MolecularFormula | C21H17N2O2Cl |
| Smiles | N/C(/Cc(cc1)ccc1Cl)=N\OC(c(cc1)ccc1-c1ccccc1)=O |
| InChI | InChI=1S/C21H17ClN2O2/c22-19-12-6-15(7-13-19)14-20(23)24-26-21(25)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-13H,14H2,(H2,23,24) |
| InChIK | AZHSHDQCVZPDAU-UHFFFAOYSA-N |
| TotalMolweight | 364.831 |
| Molweight | 364.831 |
| MonoisotopicMass | 364.097855 |
| CLogP | 5.3354 |
| CLogS | -6.323 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 281.2 |
| Relative PSA | 0.17717 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -2.7303 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - [(Z)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-phenylbenzoate | 2 - [(Z)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-phenylbenzoate
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