[(E)-(1-amino-2-chloroethylidene)amino] benzoate
Formula:C9H9N2O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-(1-amino-2-chloroethylidene)amino] benzoate is a drug-like molecule.
| MolName | [(E)-(1-amino-2-chloroethylidene)amino] benzoate |
| MolecularFormula | C9H9N2O2Cl |
| Smiles | N/C(/CCl)=N/OC(c1ccccc1)=O |
| InChI | InChI=1S/C9H9ClN2O2/c10-6-8(11)12-14-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,12) |
| InChIK | HOUUAIGUOYWWNK-UHFFFAOYSA-N |
| TotalMolweight | 212.635 |
| Molweight | 212.635 |
| MonoisotopicMass | 212.035255 |
| CLogP | 1.8576 |
| CLogS | -2.767 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 161.68 |
| Relative PSA | 0.30814 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -2.8141 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(E)-(1-amino-2-chloroethylidene)amino] benzoate | 2 - [(E)-(1-amino-2-chloroethylidene)amino] benzoate
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