[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] benzoate
Formula:C15H13N2O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] benzoate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] benzoate |
| MolecularFormula | C15H13N2O2Cl |
| Smiles | N/C(/Cc(cc1)ccc1Cl)=N/OC(c1ccccc1)=O |
| InChI | InChI=1S/C15H13ClN2O2/c16-13-8-6-11(7-9-13)10-14(17)18-20-15(19)12-4-2-1-3-5-12/h1-9H,10H2,(H2,17,18) |
| InChIK | QDJRJSORKGHPFT-UHFFFAOYSA-N |
| TotalMolweight | 288.733 |
| Molweight | 288.733 |
| MonoisotopicMass | 288.066555 |
| CLogP | 3.6762 |
| CLogS | -4.237 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 221.44 |
| Relative PSA | 0.22498 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -2.7303 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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