[(E)-(1-amino-2-phenylethylidene)amino] benzoate
Formula:C15H14N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-(1-amino-2-phenylethylidene)amino] benzoate is a drug-like molecule.
| MolName | [(E)-(1-amino-2-phenylethylidene)amino] benzoate |
| MolecularFormula | C15H14N2O2 |
| Smiles | N/C(/Cc1ccccc1)=N/OC(c1ccccc1)=O |
| InChI | InChI=1S/C15H14N2O2/c16-14(11-12-7-3-1-4-8-12)17-19-15(18)13-9-5-2-6-10-13/h1-10H,11H2,(H2,16,17) |
| InChIK | FZZYITMHWMCGJB-UHFFFAOYSA-N |
| TotalMolweight | 254.288 |
| Molweight | 254.288 |
| MonoisotopicMass | 254.105528 |
| CLogP | 3.0702 |
| CLogS | -3.501 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 206.02 |
| Relative PSA | 0.24182 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -2.829 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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