[(E)-[amino-(3-bromophenyl)methylidene]amino] 4-phenylbenzoate
Formula:C20H15N2O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino-(3-bromophenyl)methylidene]amino] 4-phenylbenzoate is not a drug-like molecule.
| MolName | [(E)-[amino-(3-bromophenyl)methylidene]amino] 4-phenylbenzoate |
| MolecularFormula | C20H15N2O2Br |
| Smiles | N/C(/c1cccc(Br)c1)=N/OC(c(cc1)ccc1-c1ccccc1)=O |
| InChI | InChI=1S/C20H15BrN2O2/c21-18-8-4-7-17(13-18)19(22)23-25-20(24)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-13H,(H2,22,23) |
| InChIK | XGHHFEGZNQTYTL-UHFFFAOYSA-N |
| TotalMolweight | 395.255 |
| Molweight | 395.255 |
| MonoisotopicMass | 394.031689 |
| CLogP | 5.4565 |
| CLogS | -6.456 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 270.65 |
| Relative PSA | 0.18408 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -4.544 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [(E)-[amino-(3-bromophenyl)methylidene]amino] 4-phenylbenzoate | 2 - [(E)-[amino-(3-bromophenyl)methylidene]amino] 4-phenylbenzoate
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