[(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-(4-chlorophenyl)acetate
Formula:C15H12N2O2Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-(4-chlorophenyl)acetate is a drug-like molecule.
| MolName | [(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-(4-chlorophenyl)acetate |
| MolecularFormula | C15H12N2O2Cl2 |
| Smiles | N/C(/c(cc1)ccc1Cl)=N/OC(Cc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C15H12Cl2N2O2/c16-12-5-1-10(2-6-12)9-14(20)21-19-15(18)11-3-7-13(17)8-4-11/h1-8H,9H2,(H2,18,19) |
| InChIK | OWRVQHQSGCMZFZ-UHFFFAOYSA-N |
| TotalMolweight | 323.178 |
| Molweight | 323.178 |
| MonoisotopicMass | 322.027582 |
| CLogP | 4.2822 |
| CLogS | -4.973 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 236.86 |
| Relative PSA | 0.21034 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -3.7305 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-(4-chlorophenyl)acetate | 2 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-(4-chlorophenyl)acetate
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