(E)-2-cyano-N-(4-hydroxyphenyl)-3-(2-morpholin-4-yl-5-nitrophenyl)prop-2-enamide
Formula:C20H18N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-(4-hydroxyphenyl)-3-(2-morpholin-4-yl-5-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-(4-hydroxyphenyl)-3-(2-morpholin-4-yl-5-nitrophenyl)prop-2-enamide |
| MolecularFormula | C20H18N4O5 |
| Smiles | N#C/C(/C(Nc(cc1)ccc1O)=O)=C\c(cc(cc1)[N+]([O-])=O)c1N1CCOCC1 |
| InChI | InChI=1S/C20H18N4O5/c21-13-15(20(26)22-16-1-4-18(25)5-2-16)11-14-12-17(24(27)28)3-6-19(14)23-7-9-29-10-8-23/h1-6,11-12,25H,7-10H2,(H,22,26) |
| InChIK | MHDOVISTDVMRAW-UHFFFAOYSA-N |
| TotalMolweight | 394.386 |
| Molweight | 394.386 |
| MonoisotopicMass | 394.127721 |
| CLogP | 1.39 |
| CLogS | -4.037 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 300.51 |
| Relative PSA | 0.31656 |
| PolarSurfaceArea | 131.41 |
| Druglikeness | -5.6874 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; aromatic nitro |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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