N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-3-fluorobenzamide
Formula:C18H11N2O2Cl2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-3-fluorobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-3-fluorobenzamide |
| MolecularFormula | C18H11N2O2Cl2F |
| Smiles | O=C(c1cc(F)ccc1)N/N=C\c1ccc(-c(cc2)cc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C18H11Cl2FN2O2/c19-15-6-4-11(9-16(15)20)17-7-5-14(25-17)10-22-23-18(24)12-2-1-3-13(21)8-12/h1-10H,(H,23,24) |
| InChIK | KDPTVGFSTMXPTH-UHFFFAOYSA-N |
| TotalMolweight | 377.201 |
| Molweight | 377.201 |
| MonoisotopicMass | 376.01816 |
| CLogP | 5.4533 |
| CLogS | -6.967 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 273.63 |
| Relative PSA | 0.18317 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 5.1537 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| StereoCon |
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