4-cyano-2-fluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide
Formula:C17H11N4O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-cyano-2-fluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide is a drug-like molecule.
| MolName | 4-cyano-2-fluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide |
| MolecularFormula | C17H11N4O3F |
| Smiles | N#Cc(cc1)cc(F)c1C(N/N=C\C=C\c(cccc1)c1[N+]([O-])=O)=O |
| InChI | InChI=1S/C17H11FN4O3/c18-15-10-12(11-19)7-8-14(15)17(23)21-20-9-3-5-13-4-1-2-6-16(13)22(24)25/h1-10H,(H,21,23) |
| InChIK | IZQMDNZVELXWMK-UHFFFAOYSA-N |
| TotalMolweight | 338.297 |
| Molweight | 338.297 |
| MonoisotopicMass | 338.081519 |
| CLogP | 2.2347 |
| CLogS | -5.56 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 265.22 |
| Relative PSA | 0.3016 |
| PolarSurfaceArea | 111.07 |
| Druglikeness | -6.3395 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| 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)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide | 2 - 4-cyano-2-fluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide
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