(Z)-2-cyano-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enamide
Formula:C14H14N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(Z)-2-cyano-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (Z)-2-cyano-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enamide |
| MolecularFormula | C14H14N4O4 |
| Smiles | NC(/C(/C#N)=C\c(cc1)cc([N+]([O-])=O)c1N1CCOCC1)=O |
| InChI | InChI=1S/C14H14N4O4/c15-9-11(14(16)19)7-10-1-2-12(13(8-10)18(20)21)17-3-5-22-6-4-17/h1-2,7-8H,3-6H2,(H2,16,19) |
| InChIK | RRZDIMJCOKHBTR-UHFFFAOYSA-N |
| TotalMolweight | 302.289 |
| Molweight | 302.289 |
| MonoisotopicMass | 302.101506 |
| CLogP | -0.3245 |
| CLogS | -2.91 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 231.46 |
| Relative PSA | 0.37086 |
| PolarSurfaceArea | 125.17 |
| Druglikeness | -6.6083 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| 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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