N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-3-phenylpropanamide
Formula:C20H16N2O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-3-phenylpropanamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-3-phenylpropanamide |
| MolecularFormula | C20H16N2O2Cl2 |
| Smiles | O=C(CCc1ccccc1)N/N=C\c1ccc(-c(cc2)cc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C20H16Cl2N2O2/c21-17-9-7-15(12-18(17)22)19-10-8-16(26-19)13-23-24-20(25)11-6-14-4-2-1-3-5-14/h1-5,7-10,12-13H,6,11H2,(H,24,25) |
| InChIK | NFGLZMWWJNUNNM-UHFFFAOYSA-N |
| TotalMolweight | 387.265 |
| Molweight | 387.265 |
| MonoisotopicMass | 386.058882 |
| CLogP | 5.805 |
| CLogS | -6.888 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 294.8 |
| Relative PSA | 0.17001 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 5.3625 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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