[(E)-[amino(phenyl)methylidene]amino] 4-bromobenzoate
Formula:C14H11N2O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino(phenyl)methylidene]amino] 4-bromobenzoate is a drug-like molecule.
| MolName | [(E)-[amino(phenyl)methylidene]amino] 4-bromobenzoate |
| MolecularFormula | C14H11N2O2Br |
| Smiles | N/C(/c1ccccc1)=N/OC(c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C14H11BrN2O2/c15-12-8-6-11(7-9-12)14(18)19-17-13(16)10-4-2-1-3-5-10/h1-9H,(H2,16,17) |
| InChIK | NESITTHOZSRGCX-UHFFFAOYSA-N |
| TotalMolweight | 319.157 |
| Molweight | 319.157 |
| MonoisotopicMass | 318.000389 |
| CLogP | 3.7973 |
| CLogS | -4.37 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 210.89 |
| Relative PSA | 0.23624 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -4.544 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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