[(E)-[1-amino-2-(2,2-dichlorocyclopropyl)ethylidene]amino] benzoate
Formula:C12H12N2O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-[1-amino-2-(2,2-dichlorocyclopropyl)ethylidene]amino] benzoate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(2,2-dichlorocyclopropyl)ethylidene]amino] benzoate |
| MolecularFormula | C12H12N2O2Cl2 |
| Smiles | N/C(/CC(C1)C1(Cl)Cl)=N/OC(c1ccccc1)=O |
| InChI | InChI=1S/C12H12Cl2N2O2/c13-12(14)7-9(12)6-10(15)16-18-11(17)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,15,16)/t9-/m1/s1 |
| InChIK | ICAXSMQUIXVHPP-SECBINFHSA-N |
| TotalMolweight | 287.145 |
| Molweight | 287.145 |
| MonoisotopicMass | 286.027582 |
| CLogP | 3.2499 |
| CLogS | -4.032 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 200.27 |
| Relative PSA | 0.24876 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -1.8107 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| StereoCon | racemate |
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1 - [(E)-[1-amino-2-(2,2-dichlorocyclopropyl)ethylidene]amino] benzoate | 2 - [(E)-[1-amino-2-(2,2-dichlorocyclopropyl)ethylidene]amino] benzoate
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