4-cyano-2-fluoro-N-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]benzamide
Formula:C20H12N5O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-cyano-2-fluoro-N-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-cyano-2-fluoro-N-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]benzamide |
| MolecularFormula | C20H12N5O4F |
| Smiles | N#Cc(cc1)cc(F)c1C(N/N=C\c(cc1)ccc1Oc(cc1)ncc1[N+]([O-])=O)=O |
| InChI | InChI=1S/C20H12FN5O4/c21-18-9-14(10-22)3-7-17(18)20(27)25-24-11-13-1-5-16(6-2-13)30-19-8-4-15(12-23-19)26(28)29/h1-9,11-12H,(H,25,27) |
| InChIK | MLTUMCPUTNOBLU-UHFFFAOYSA-N |
| TotalMolweight | 405.344 |
| Molweight | 405.344 |
| MonoisotopicMass | 405.087333 |
| CLogP | 2.9625 |
| CLogS | -7.295 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 307.24 |
| Relative PSA | 0.3286 |
| PolarSurfaceArea | 133.19 |
| Druglikeness | -6.4795 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-cyano-2-fluoro-N-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]benzamide | 2 - 4-cyano-2-fluoro-N-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]benzamide
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