4-cyano-2-fluoro-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
Formula:C22H15N4O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-cyano-2-fluoro-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-cyano-2-fluoro-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide |
| MolecularFormula | C22H15N4O4F |
| Smiles | N#Cc(cc1)cc(F)c1C(N/N=C\c(cc1)ccc1OCc(cc1)ccc1[N+]([O-])=O)=O |
| InChI | InChI=1S/C22H15FN4O4/c23-21-11-17(12-24)5-10-20(21)22(28)26-25-13-15-3-8-19(9-4-15)31-14-16-1-6-18(7-2-16)27(29)30/h1-11,13H,14H2,(H,26,28) |
| InChIK | FDTYIDCTVLORLE-UHFFFAOYSA-N |
| TotalMolweight | 418.383 |
| Molweight | 418.383 |
| MonoisotopicMass | 418.107734 |
| CLogP | 3.5645 |
| CLogS | -6.609 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 322.24 |
| Relative PSA | 0.27926 |
| PolarSurfaceArea | 120.3 |
| Druglikeness | -6.7357 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70968 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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