N-cyclopentyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide
Formula:C14H15N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-cyclopentyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-cyclopentyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide |
| MolecularFormula | C14H15N3O2Cl2 |
| Smiles | O=C(C(N/N=C\c(cc1)cc(Cl)c1Cl)=O)NC1CCCC1 |
| InChI | InChI=1S/C14H15Cl2N3O2/c15-11-6-5-9(7-12(11)16)8-17-19-14(21)13(20)18-10-3-1-2-4-10/h5-8,10H,1-4H2,(H,18,20)(H,19,21) |
| InChIK | IQZRJCKUEPPZMS-UHFFFAOYSA-N |
| TotalMolweight | 328.198 |
| Molweight | 328.198 |
| MonoisotopicMass | 327.054131 |
| CLogP | 2.8609 |
| CLogS | -4.794 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 241.32 |
| Relative PSA | 0.25075 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 1.8294 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-cyclopentyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide | 2 - N-cyclopentyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide
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