(Z)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-(3-nitrophenyl)prop-2-enenitrile
Formula:C19H10N3O5Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-(3-nitrophenyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-(3-nitrophenyl)prop-2-enenitrile |
| MolecularFormula | C19H10N3O5Cl |
| Smiles | N#C/C(/c1cc([N+]([O-])=O)ccc1)=C\c1ccc(-c(cc2)cc([N+]([O-])=O)c2Cl)o1 |
| InChI | InChI=1S/C19H10ClN3O5/c20-17-6-4-13(10-18(17)23(26)27)19-7-5-16(28-19)9-14(11-21)12-2-1-3-15(8-12)22(24)25/h1-10H |
| InChIK | GNYDLATYYZEKGH-UHFFFAOYSA-N |
| TotalMolweight | 395.757 |
| Molweight | 395.757 |
| MonoisotopicMass | 395.030899 |
| CLogP | 3.0343 |
| CLogS | -6.745 |
| H Acceptors | 8 |
| TotalSurfaceArea | 291.65 |
| Relative PSA | 0.30348 |
| PolarSurfaceArea | 128.57 |
| Druglikeness | -8.5642 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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