[(Z)-aminomethylideneamino] benzoate
Formula:C8H8N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-aminomethylideneamino] benzoate is a drug-like molecule.
| MolName | [(Z)-aminomethylideneamino] benzoate |
| MolecularFormula | C8H8N2O2 |
| Smiles | N/C=N\OC(c1ccccc1)=O |
| InChI | InChI=1S/C8H8N2O2/c9-6-10-12-8(11)7-4-2-1-3-5-7/h1-6H,(H2,9,10) |
| InChIK | JDAMZTNDFOBTES-UHFFFAOYSA-N |
| TotalMolweight | 164.164 |
| Molweight | 164.164 |
| MonoisotopicMass | 164.058578 |
| CLogP | 1.2575 |
| CLogS | -2.535 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 134.29 |
| Relative PSA | 0.37099 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -3.9443 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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