(Z)-3-(4-morpholin-4-yl-3-nitrophenyl)-2-pyridin-2-ylprop-2-enenitrile
Formula:C18H16N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(4-morpholin-4-yl-3-nitrophenyl)-2-pyridin-2-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-(4-morpholin-4-yl-3-nitrophenyl)-2-pyridin-2-ylprop-2-enenitrile |
| MolecularFormula | C18H16N4O3 |
| Smiles | N#C/C(/c1ncccc1)=C\c(cc1)cc([N+]([O-])=O)c1N1CCOCC1 |
| InChI | InChI=1S/C18H16N4O3/c19-13-15(16-3-1-2-6-20-16)11-14-4-5-17(18(12-14)22(23)24)21-7-9-25-10-8-21/h1-6,11-12H,7-10H2 |
| InChIK | CRNCDWZRAIPMBI-UHFFFAOYSA-N |
| TotalMolweight | 336.35 |
| Molweight | 336.35 |
| MonoisotopicMass | 336.122241 |
| CLogP | 1.1331 |
| CLogS | -3.421 |
| H Acceptors | 7 |
| TotalSurfaceArea | 263.71 |
| Relative PSA | 0.25976 |
| PolarSurfaceArea | 94.97 |
| Druglikeness | -7.8863 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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