N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-1-phenylmethanamine
Formula:C18H15N2OBr
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-1-phenylmethanamine is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-1-phenylmethanamine |
| MolecularFormula | C18H15N2OBr |
| Smiles | Brc(cc1)ccc1-c1ccc(/C=N\NCc2ccccc2)o1 |
| InChI | InChI=1S/C18H15BrN2O/c19-16-8-6-15(7-9-16)18-11-10-17(22-18)13-21-20-12-14-4-2-1-3-5-14/h1-11,13,20H,12H2 |
| InChIK | LSSRMCQSODNDGY-UHFFFAOYSA-N |
| TotalMolweight | 355.234 |
| Molweight | 355.234 |
| MonoisotopicMass | 354.036774 |
| CLogP | 4.7833 |
| CLogS | -5.886 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 251.08 |
| Relative PSA | 0.14768 |
| PolarSurfaceArea | 37.53 |
| Druglikeness | 3.069 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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