4-cyano-2-fluoro-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
Formula:C15H9N4O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-cyano-2-fluoro-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-cyano-2-fluoro-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide |
| MolecularFormula | C15H9N4O3F |
| Smiles | N#Cc(cc1)cc(F)c1C(N/N=C\c1cc([N+]([O-])=O)ccc1)=O |
| InChI | InChI=1S/C15H9FN4O3/c16-14-7-10(8-17)4-5-13(14)15(21)19-18-9-11-2-1-3-12(6-11)20(22)23/h1-7,9H,(H,19,21) |
| InChIK | TZCVBRLSRPNAKX-UHFFFAOYSA-N |
| TotalMolweight | 312.259 |
| Molweight | 312.259 |
| MonoisotopicMass | 312.065869 |
| CLogP | 2.2164 |
| CLogS | -5.268 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 238.72 |
| Relative PSA | 0.33508 |
| PolarSurfaceArea | 111.07 |
| Druglikeness | -6.373 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-cyano-2-fluoro-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide | 2 - 4-cyano-2-fluoro-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
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