(E)-N-[2-chloro-4-[[3-chloro-4-[[(E)-3-phenylprop-2-enylidene]amino]phenyl]methyl]phenyl]-3-phenylprop-2-en-1-imine
Formula:C31H24N2Cl2
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
(E)-N-[2-chloro-4-[[3-chloro-4-[[(E)-3-phenylprop-2-enylidene]amino]phenyl]methyl]phenyl]-3-phenylprop-2-en-1-imine is not a drug-like molecule.
| MolName | (E)-N-[2-chloro-4-[[3-chloro-4-[[(E)-3-phenylprop-2-enylidene]amino]phenyl]methyl]phenyl]-3-phenylprop-2-en-1-imine |
| MolecularFormula | C31H24N2Cl2 |
| Smiles | Clc(cc(Cc(cc1)cc(Cl)c1/N=C/C=C/c1ccccc1)cc1)c1/N=C/C=C/c1ccccc1 |
| InChI | InChI=1S/C31H24Cl2N2/c32-28-22-26(15-17-30(28)34-19-7-13-24-9-3-1-4-10-24)21-27-16-18-31(29(33)23-27)35-20-8-14-25-11-5-2-6-12-25/h1-20,22-23H,21H2 |
| InChIK | GDJFHTNEKSKXAH-UHFFFAOYSA-N |
| TotalMolweight | 495.452 |
| Molweight | 495.452 |
| MonoisotopicMass | 494.131652 |
| CLogP | 7.4717 |
| CLogS | -8.467 |
| H Acceptors | 2 |
| TotalSurfaceArea | 399.66 |
| Relative PSA | 0.057599 |
| PolarSurfaceArea | 24.72 |
| Druglikeness | -0.19338 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 19 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-[2-chloro-4-[[3-chloro-4-[[(E)-3-phenylprop-2-enylidene]amino]phenyl]methyl]phenyl]-3-phenylprop-2-en-1-imine | 2 - (E)-N-[2-chloro-4-[[3-chloro-4-[[(E)-3-phenylprop-2-enylidene]amino]phenyl]methyl]phenyl]-3-phenylprop-2-en-1-imine
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