(Z)-2-(4-nitrophenyl)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enenitrile
Formula:C23H18N2O4
Mutagenic:none
Tumorigenic:low
Reproductive Effective:high
(Z)-2-(4-nitrophenyl)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-(4-nitrophenyl)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enenitrile |
| MolecularFormula | C23H18N2O4 |
| Smiles | N#C/C(/c(cc1)ccc1[N+]([O-])=O)=C\c(cc1)ccc1OCCOc1ccccc1 |
| InChI | InChI=1S/C23H18N2O4/c24-17-20(19-8-10-21(11-9-19)25(26)27)16-18-6-12-23(13-7-18)29-15-14-28-22-4-2-1-3-5-22/h1-13,16H,14-15H2 |
| InChIK | JKKVZWDHGZFJDO-UHFFFAOYSA-N |
| TotalMolweight | 386.406 |
| Molweight | 386.406 |
| MonoisotopicMass | 386.126658 |
| CLogP | 3.766 |
| CLogS | -5.357 |
| H Acceptors | 6 |
| TotalSurfaceArea | 310.39 |
| Relative PSA | 0.20613 |
| PolarSurfaceArea | 88.07 |
| Druglikeness | -17.211 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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