4-cyano-2-fluoro-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
Formula:C19H11N4O4F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-cyano-2-fluoro-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-cyano-2-fluoro-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C19H11N4O4F |
| Smiles | N#Cc(cc1)cc(F)c1C(N/N=C\c1ccc(-c2cc([N+]([O-])=O)ccc2)o1)=O |
| InChI | InChI=1S/C19H11FN4O4/c20-17-8-12(10-21)4-6-16(17)19(25)23-22-11-15-5-7-18(28-15)13-2-1-3-14(9-13)24(26)27/h1-9,11H,(H,23,25) |
| InChIK | LDLWHFLJOAHOCG-UHFFFAOYSA-N |
| TotalMolweight | 378.318 |
| Molweight | 378.318 |
| MonoisotopicMass | 378.076434 |
| CLogP | 3.1553 |
| CLogS | -6.728 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 288.17 |
| Relative PSA | 0.32654 |
| PolarSurfaceArea | 124.21 |
| Druglikeness | -4.24 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| 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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