N-(3,4-dichlorophenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide
Formula:C17H15N3O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3,4-dichlorophenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide is a drug-like molecule.
| MolName | N-(3,4-dichlorophenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide |
| MolecularFormula | C17H15N3O3Cl2 |
| Smiles | COc1cccc(C=NNC(CC(Nc(cc2)cc(Cl)c2Cl)=O)=O)c1 |
| InChI | InChI=1S/C17H15Cl2N3O3/c1-25-13-4-2-3-11(7-13)10-20-22-17(24)9-16(23)21-12-5-6-14(18)15(19)8-12/h2-8,10H,9H2,1H3,(H,21,23)(H,22,24) |
| InChIK | GXALWWKJCIWFGE-UHFFFAOYSA-N |
| TotalMolweight | 380.23 |
| Molweight | 380.23 |
| MonoisotopicMass | 379.049046 |
| CLogP | 3.7403 |
| CLogS | -5.285 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 283.06 |
| Relative PSA | 0.2491 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 2.0335 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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