[(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-bromobenzoate
Formula:C14H10N2O2BrCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-bromobenzoate is a drug-like molecule.
| MolName | [(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-bromobenzoate |
| MolecularFormula | C14H10N2O2BrCl |
| Smiles | N/C(/c(cc1)ccc1Cl)=N/OC(c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C14H10BrClN2O2/c15-11-5-1-10(2-6-11)14(19)20-18-13(17)9-3-7-12(16)8-4-9/h1-8H,(H2,17,18) |
| InChIK | NCQHZQANYWIBKA-UHFFFAOYSA-N |
| TotalMolweight | 353.602 |
| Molweight | 353.602 |
| MonoisotopicMass | 351.961416 |
| CLogP | 4.4033 |
| CLogS | -5.106 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 226.31 |
| Relative PSA | 0.22014 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -4.4501 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-bromobenzoate | 2 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-bromobenzoate
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