N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1H-benzimidazol-2-amine
Formula:C18H13N4OCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1H-benzimidazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1H-benzimidazol-2-amine |
| MolecularFormula | C18H13N4OCl |
| Smiles | Clc1cc(-c2ccc(/C=N\Nc3nc(cccc4)c4[nH]3)o2)ccc1 |
| InChI | InChI=1S/C18H13ClN4O/c19-13-5-3-4-12(10-13)17-9-8-14(24-17)11-20-23-18-21-15-6-1-2-7-16(15)22-18/h1-11H,(H2,21,22,23) |
| InChIK | SSYAPQIMVRHBGY-UHFFFAOYSA-N |
| TotalMolweight | 336.781 |
| Molweight | 336.781 |
| MonoisotopicMass | 336.077788 |
| CLogP | 6.3549 |
| CLogS | -5.827 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 257.04 |
| Relative PSA | 0.24136 |
| PolarSurfaceArea | 66.21 |
| Druglikeness | 5.1443 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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