N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-fluorobenzamide
Formula:C18H11N3O4ClF
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-fluorobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-fluorobenzamide |
| MolecularFormula | C18H11N3O4ClF |
| Smiles | [O-][N+](c(cc1)cc(-c2ccc(/C=N\NC(c(cccc3)c3F)=O)o2)c1Cl)=O |
| InChI | InChI=1S/C18H11ClFN3O4/c19-15-7-5-11(23(25)26)9-14(15)17-8-6-12(27-17)10-21-22-18(24)13-3-1-2-4-16(13)20/h1-10H,(H,22,24) |
| InChIK | XVDVQHHDPFTVOA-UHFFFAOYSA-N |
| TotalMolweight | 387.753 |
| Molweight | 387.753 |
| MonoisotopicMass | 387.042212 |
| CLogP | 3.9257 |
| CLogS | -6.691 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 281.88 |
| Relative PSA | 0.28572 |
| PolarSurfaceArea | 100.42 |
| Druglikeness | 0.073739 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-fluorobenzamide | 2 - N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-fluorobenzamide
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