(Z)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-naphthalen-2-ylprop-2-enenitrile
Formula:C23H13N2O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-naphthalen-2-ylprop-2-enenitrile is not a drug-like molecule.
| MolName | (Z)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-naphthalen-2-ylprop-2-enenitrile |
| MolecularFormula | C23H13N2O3Cl |
| Smiles | N#C/C(/c1cc2ccccc2cc1)=C\c1ccc(-c(cc2)cc([N+]([O-])=O)c2Cl)o1 |
| InChI | InChI=1S/C23H13ClN2O3/c24-21-9-7-18(13-22(21)26(27)28)23-10-8-20(29-23)12-19(14-25)17-6-5-15-3-1-2-4-16(15)11-17/h1-13H |
| InChIK | FAGXJPCWIIPHNT-UHFFFAOYSA-N |
| TotalMolweight | 400.82 |
| Molweight | 400.82 |
| MonoisotopicMass | 400.06147 |
| CLogP | 5.1503 |
| CLogS | -7.891 |
| H Acceptors | 5 |
| TotalSurfaceArea | 302.58 |
| Relative PSA | 0.19198 |
| PolarSurfaceArea | 82.75 |
| Druglikeness | -8.5642 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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