N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-1H-benzimidazol-2-amine
Formula:C18H13N5O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-1H-benzimidazol-2-amine is a drug-like molecule.
| MolName | N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-1H-benzimidazol-2-amine |
| MolecularFormula | C18H13N5O3 |
| Smiles | [O-][N+](c1cc(-c2ccc(/C=N\Nc3nc(cccc4)c4[nH]3)o2)ccc1)=O |
| InChI | InChI=1S/C18H13N5O3/c24-23(25)13-5-3-4-12(10-13)17-9-8-14(26-17)11-19-22-18-20-15-6-1-2-7-16(15)21-18/h1-11H,(H2,20,21,22) |
| InChIK | VIXZVMOUWRERLG-UHFFFAOYSA-N |
| TotalMolweight | 347.333 |
| Molweight | 347.333 |
| MonoisotopicMass | 347.10184 |
| CLogP | 4.6569 |
| CLogS | -5.551 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 265.29 |
| Relative PSA | 0.34852 |
| PolarSurfaceArea | 112.03 |
| Druglikeness | -0.0033212 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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