[(E)-[1-amino-2-(2,2-dichlorocyclopropyl)ethylidene]amino] 2-chlorobenzoate
Formula:C12H11N2O2Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-[1-amino-2-(2,2-dichlorocyclopropyl)ethylidene]amino] 2-chlorobenzoate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(2,2-dichlorocyclopropyl)ethylidene]amino] 2-chlorobenzoate |
| MolecularFormula | C12H11N2O2Cl3 |
| Smiles | N/C(/CC(C1)C1(Cl)Cl)=N/OC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C12H11Cl3N2O2/c13-9-4-2-1-3-8(9)11(18)19-17-10(16)5-7-6-12(7,14)15/h1-4,7H,5-6H2,(H2,16,17)/t7-/m0/s1 |
| InChIK | WTCRIRRIUWKBPC-ZETCQYMHSA-N |
| TotalMolweight | 321.59 |
| Molweight | 321.59 |
| MonoisotopicMass | 319.988609 |
| CLogP | 3.8559 |
| CLogS | -4.768 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 215.69 |
| Relative PSA | 0.23098 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -1.8107 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 1 |
| StereoCon | racemate |
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1 - [(E)-[1-amino-2-(2,2-dichlorocyclopropyl)ethylidene]amino] 2-chlorobenzoate | 2 - [(E)-[1-amino-2-(2,2-dichlorocyclopropyl)ethylidene]amino] 2-chlorobenzoate
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