N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-N-phenylaniline
Formula:C23H16N2OCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-N-phenylaniline is not a drug-like molecule.
| MolName | N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-N-phenylaniline |
| MolecularFormula | C23H16N2OCl2 |
| Smiles | Clc(cc1)cc(Cl)c1-c1ccc(/C=N\N(c2ccccc2)c2ccccc2)o1 |
| InChI | InChI=1S/C23H16Cl2N2O/c24-17-11-13-21(22(25)15-17)23-14-12-20(28-23)16-26-27(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-16H |
| InChIK | ORRLHWHYPTWYHN-UHFFFAOYSA-N |
| TotalMolweight | 407.299 |
| Molweight | 407.299 |
| MonoisotopicMass | 406.063967 |
| CLogP | 7.3797 |
| CLogS | -8.658 |
| H Acceptors | 3 |
| TotalSurfaceArea | 308.13 |
| Relative PSA | 0.094668 |
| PolarSurfaceArea | 28.74 |
| Druglikeness | 5.7116 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 8 |
| StereoCon |
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