(Z)-2-cyano-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-enamide
Formula:C15H16N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(Z)-2-cyano-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (Z)-2-cyano-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-enamide |
| MolecularFormula | C15H16N4O3 |
| Smiles | NC(/C(/C#N)=C\c(cc1)cc([N+]([O-])=O)c1N1CCCCC1)=O |
| InChI | InChI=1S/C15H16N4O3/c16-10-12(15(17)20)8-11-4-5-13(14(9-11)19(21)22)18-6-2-1-3-7-18/h4-5,8-9H,1-3,6-7H2,(H2,17,20) |
| InChIK | CSRAIWFRDQQDQK-UHFFFAOYSA-N |
| TotalMolweight | 300.317 |
| Molweight | 300.317 |
| MonoisotopicMass | 300.122241 |
| CLogP | 0.8395 |
| CLogS | -3.799 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 235.22 |
| Relative PSA | 0.32242 |
| PolarSurfaceArea | 115.94 |
| Druglikeness | -7.4676 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB; aromatic nitro |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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