N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1H-benzimidazol-2-amine
Formula:C19H13N4OF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1H-benzimidazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1H-benzimidazol-2-amine |
| MolecularFormula | C19H13N4OF3 |
| Smiles | FC(c1cc(-c2ccc(/C=N\Nc3nc(cccc4)c4[nH]3)o2)ccc1)(F)F |
| InChI | InChI=1S/C19H13F3N4O/c20-19(21,22)13-5-3-4-12(10-13)17-9-8-14(27-17)11-23-26-18-24-15-6-1-2-7-16(15)25-18/h1-11H,(H2,24,25,26) |
| InChIK | KCAXXTCUPGZNLL-UHFFFAOYSA-N |
| TotalMolweight | 370.333 |
| Molweight | 370.333 |
| MonoisotopicMass | 370.104145 |
| CLogP | 6.5972 |
| CLogS | -5.869 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 271.08 |
| Relative PSA | 0.22886 |
| PolarSurfaceArea | 66.21 |
| Druglikeness | -2.0708 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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