N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-phenylpropanamide
Formula:C16H14N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-phenylpropanamide is a drug-like molecule.
| MolName | N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-phenylpropanamide |
| MolecularFormula | C16H14N2OCl2 |
| Smiles | O=C(CCc1ccccc1)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C16H14Cl2N2O/c17-14-8-6-13(10-15(14)18)11-19-20-16(21)9-7-12-4-2-1-3-5-12/h1-6,8,10-11H,7,9H2,(H,20,21) |
| InChIK | IGUIRNHXINDPSP-UHFFFAOYSA-N |
| TotalMolweight | 321.206 |
| Molweight | 321.206 |
| MonoisotopicMass | 320.048317 |
| CLogP | 4.8661 |
| CLogS | -5.428 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 245.35 |
| Relative PSA | 0.14677 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 3.227 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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