N-[(E)-[[2-[(E)-N-anilino-C-(4-chlorophenyl)carbonimidoyl]phenyl]-(4-chlorophenyl)methylidene]amino]aniline
Formula:C32H24N4Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-[[2-[(E)-N-anilino-C-(4-chlorophenyl)carbonimidoyl]phenyl]-(4-chlorophenyl)methylidene]amino]aniline is not a drug-like molecule.
| MolName | N-[(E)-[[2-[(E)-N-anilino-C-(4-chlorophenyl)carbonimidoyl]phenyl]-(4-chlorophenyl)methylidene]amino]aniline |
| MolecularFormula | C32H24N4Cl2 |
| Smiles | Clc(cc1)ccc1/C(/c(cccc1)c1/C(/c(cc1)ccc1Cl)=N/Nc1ccccc1)=N\Nc1ccccc1 |
| InChI | InChI=1S/C32H24Cl2N4/c33-25-19-15-23(16-20-25)31(37-35-27-9-3-1-4-10-27)29-13-7-8-14-30(29)32(24-17-21-26(34)22-18-24)38-36-28-11-5-2-6-12-28/h1-22,35-36H |
| InChIK | MLCWKHWNENGGHU-UHFFFAOYSA-N |
| TotalMolweight | 535.477 |
| Molweight | 535.477 |
| MonoisotopicMass | 534.1378 |
| CLogP | 11.628 |
| CLogS | -9.706 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 412 |
| Relative PSA | 0.1115 |
| PolarSurfaceArea | 48.78 |
| Druglikeness | 1.2961 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42105 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Symmetricatoms | 23 |
| StereoCon |
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1 - N-[(E)-[[2-[(E)-N-anilino-C-(4-chlorophenyl)carbonimidoyl]phenyl]-(4-chlorophenyl)methylidene]amino]aniline | 2 - N-[(E)-[[2-[(E)-N-anilino-C-(4-chlorophenyl)carbonimidoyl]phenyl]-(4-chlorophenyl)methylidene]amino]aniline
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