[(E)-[amino(phenyl)methylidene]amino] 2-phenylbenzoate
Formula:C20H16N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino(phenyl)methylidene]amino] 2-phenylbenzoate is a drug-like molecule.
| MolName | [(E)-[amino(phenyl)methylidene]amino] 2-phenylbenzoate |
| MolecularFormula | C20H16N2O2 |
| Smiles | N/C(/c1ccccc1)=N/OC(c(cccc1)c1-c1ccccc1)=O |
| InChI | InChI=1S/C20H16N2O2/c21-19(16-11-5-2-6-12-16)22-24-20(23)18-14-8-7-13-17(18)15-9-3-1-4-10-15/h1-14H,(H2,21,22) |
| InChIK | UQIWBFKLVRHISJ-UHFFFAOYSA-N |
| TotalMolweight | 316.359 |
| Molweight | 316.359 |
| MonoisotopicMass | 316.121178 |
| CLogP | 4.7313 |
| CLogS | -5.622 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 252.02 |
| Relative PSA | 0.19768 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -2.754 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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