N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]piperidine-4-carboxamide
Formula:C13H15N4O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]piperidine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]piperidine-4-carboxamide |
| MolecularFormula | C13H15N4O3Cl |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(C2CCNCC2)=O)c1Cl)=O |
| InChI | InChI=1S/C13H15ClN4O3/c14-12-2-1-11(18(20)21)7-10(12)8-16-17-13(19)9-3-5-15-6-4-9/h1-2,7-9,15H,3-6H2,(H,17,19) |
| InChIK | GGVWZDVNAFJIPE-UHFFFAOYSA-N |
| TotalMolweight | 310.74 |
| Molweight | 310.74 |
| MonoisotopicMass | 310.083268 |
| CLogP | -0.5846 |
| CLogS | -4.048 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 231.82 |
| Relative PSA | 0.33599 |
| PolarSurfaceArea | 99.31 |
| Druglikeness | 0.45712 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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