(Z)-3-(2-morpholin-4-yl-5-nitrophenyl)-2-naphthalen-2-ylprop-2-enenitrile
Formula:C23H19N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(Z)-3-(2-morpholin-4-yl-5-nitrophenyl)-2-naphthalen-2-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-(2-morpholin-4-yl-5-nitrophenyl)-2-naphthalen-2-ylprop-2-enenitrile |
| MolecularFormula | C23H19N3O3 |
| Smiles | N#C/C(/c1cc2ccccc2cc1)=C\c(cc(cc1)[N+]([O-])=O)c1N1CCOCC1 |
| InChI | InChI=1S/C23H19N3O3/c24-16-21(19-6-5-17-3-1-2-4-18(17)13-19)14-20-15-22(26(27)28)7-8-23(20)25-9-11-29-12-10-25/h1-8,13-15H,9-12H2 |
| InChIK | DDINYFSWRCLCLC-UHFFFAOYSA-N |
| TotalMolweight | 385.422 |
| Molweight | 385.422 |
| MonoisotopicMass | 385.142642 |
| CLogP | 3.2744 |
| CLogS | -5.798 |
| H Acceptors | 6 |
| TotalSurfaceArea | 299.55 |
| Relative PSA | 0.19205 |
| PolarSurfaceArea | 82.08 |
| Druglikeness | -7.8863 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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