N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-phenylmethanamine
Formula:C18H15N2OCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-phenylmethanamine is a drug-like molecule.
| MolName | N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-phenylmethanamine |
| MolecularFormula | C18H15N2OCl |
| Smiles | Clc1cc(-c2ccc(/C=N\NCc3ccccc3)o2)ccc1 |
| InChI | InChI=1S/C18H15ClN2O/c19-16-8-4-7-15(11-16)18-10-9-17(22-18)13-21-20-12-14-5-2-1-3-6-14/h1-11,13,20H,12H2 |
| InChIK | YCHSSPJYMUZALO-UHFFFAOYSA-N |
| TotalMolweight | 310.783 |
| Molweight | 310.783 |
| MonoisotopicMass | 310.08729 |
| CLogP | 4.6641 |
| CLogS | -5.788 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 247.87 |
| Relative PSA | 0.14959 |
| PolarSurfaceArea | 37.53 |
| Druglikeness | 4.8817 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| 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 | 2 |
| StereoCon |
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