[(E)-[amino-(4-bromophenyl)methylidene]amino] 3,3-diphenylpropanoate
Formula:C22H19N2O2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino-(4-bromophenyl)methylidene]amino] 3,3-diphenylpropanoate is not a drug-like molecule.
| MolName | [(E)-[amino-(4-bromophenyl)methylidene]amino] 3,3-diphenylpropanoate |
| MolecularFormula | C22H19N2O2Br |
| Smiles | N/C(/c(cc1)ccc1Br)=N/OC(CC(c1ccccc1)c1ccccc1)=O |
| InChI | InChI=1S/C22H19BrN2O2/c23-19-13-11-18(12-14-19)22(24)25-27-21(26)15-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,20H,15H2,(H2,24,25) |
| InChIK | IJVQXUKAOHAXTP-UHFFFAOYSA-N |
| TotalMolweight | 423.309 |
| Molweight | 423.309 |
| MonoisotopicMass | 422.062989 |
| CLogP | 5.7774 |
| CLogS | -5.754 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 296.91 |
| Relative PSA | 0.16779 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -5.1115 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 10 |
| StereoCon |
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