N,N'-bis[4-[(E)-2-phenylethenyl]phenyl]propanediamide
Formula:C31H26N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N,N'-bis[4-[(E)-2-phenylethenyl]phenyl]propanediamide is not a drug-like molecule.
| MolName | N,N'-bis[4-[(E)-2-phenylethenyl]phenyl]propanediamide |
| MolecularFormula | C31H26N2O2 |
| Smiles | O=C(CC(Nc1ccc(/C=C/c2ccccc2)cc1)=O)Nc1ccc(/C=C/c2ccccc2)cc1 |
| InChI | InChI=1S/C31H26N2O2/c34-30(32-28-19-15-26(16-20-28)13-11-24-7-3-1-4-8-24)23-31(35)33-29-21-17-27(18-22-29)14-12-25-9-5-2-6-10-25/h1-22H,23H2,(H,32,34)(H,33,35) |
| InChIK | UNHYYYRFGJALHQ-UHFFFAOYSA-N |
| TotalMolweight | 458.559 |
| Molweight | 458.559 |
| MonoisotopicMass | 458.199428 |
| CLogP | 6.6178 |
| CLogS | -7.474 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 377.72 |
| Relative PSA | 0.12973 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | -1.7442 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| 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 | 21 |
| Amides | 2 |
| StereoCon |
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