N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(1-hydroxycyclopentyl)propanamide
Formula:C15H18N2O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(1-hydroxycyclopentyl)propanamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(1-hydroxycyclopentyl)propanamide |
| MolecularFormula | C15H18N2O2Cl2 |
| Smiles | OC1(CCC(N/N=C\c(ccc(Cl)c2)c2Cl)=O)CCCC1 |
| InChI | InChI=1S/C15H18Cl2N2O2/c16-12-4-3-11(13(17)9-12)10-18-19-14(20)5-8-15(21)6-1-2-7-15/h3-4,9-10,21H,1-2,5-8H2,(H,19,20) |
| InChIK | FCQWIDGZFNKXKU-UHFFFAOYSA-N |
| TotalMolweight | 329.226 |
| Molweight | 329.226 |
| MonoisotopicMass | 328.074532 |
| CLogP | 4.0573 |
| CLogS | -5.169 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 243.89 |
| Relative PSA | 0.20136 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 2.2544 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(1-hydroxycyclopentyl)propanamide | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(1-hydroxycyclopentyl)propanamide
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