N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1H-benzimidazol-2-amine
Formula:C18H12N5O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1H-benzimidazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1H-benzimidazol-2-amine |
| MolecularFormula | C18H12N5O3Cl |
| Smiles | [O-][N+](c(cc1)cc(-c2ccc(/C=N\Nc3nc(cccc4)c4[nH]3)o2)c1Cl)=O |
| InChI | InChI=1S/C18H12ClN5O3/c19-14-7-5-11(24(25)26)9-13(14)17-8-6-12(27-17)10-20-23-18-21-15-3-1-2-4-16(15)22-18/h1-10H,(H2,21,22,23) |
| InChIK | UJXNFFNEQLRUKW-UHFFFAOYSA-N |
| TotalMolweight | 381.778 |
| Molweight | 381.778 |
| MonoisotopicMass | 381.062867 |
| CLogP | 5.2629 |
| CLogS | -6.287 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 280.71 |
| Relative PSA | 0.32938 |
| PolarSurfaceArea | 112.03 |
| Druglikeness | 0.032798 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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