2-chloro-5-[5-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]furan-2-yl]benzoate
Formula:C20H10N2O5Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
2-chloro-5-[5-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]furan-2-yl]benzoate is a drug-like molecule.
| MolName | 2-chloro-5-[5-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]furan-2-yl]benzoate |
| MolecularFormula | C20H10N2O5Cl |
| Smiles | N#C/C(/c(cc1)ccc1[N+]([O-])=O)=C\c1ccc(-c(cc2)cc(C([O-])=O)c2Cl)o1 |
| InChI | InChI=1S/C20H11ClN2O5/c21-18-7-3-13(10-17(18)20(24)25)19-8-6-16(28-19)9-14(11-22)12-1-4-15(5-2-12)23(26)27/h1-10H,(H,24,25)/p-1 |
| InChIK | PVYPXUSCJKUEGQ-UHFFFAOYSA-M |
| TotalMolweight | 393.761 |
| Molweight | 393.761 |
| MonoisotopicMass | 393.027825 |
| CLogP | 1.365 |
| CLogS | -6.298 |
| H Acceptors | 7 |
| TotalSurfaceArea | 293.26 |
| Relative PSA | 0.29124 |
| PolarSurfaceArea | 122.88 |
| Druglikeness | -8.1747 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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