[1-[(Z)-(4-nitrophenyl)methylideneamino]benzimidazol-2-yl]methanol
Formula:C15H12N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[1-[(Z)-(4-nitrophenyl)methylideneamino]benzimidazol-2-yl]methanol is a drug-like molecule.
| MolName | [1-[(Z)-(4-nitrophenyl)methylideneamino]benzimidazol-2-yl]methanol |
| MolecularFormula | C15H12N4O3 |
| Smiles | [O-][N+](c1ccc(/C=N\n2c(cccc3)c3nc2CO)cc1)=O |
| InChI | InChI=1S/C15H12N4O3/c20-10-15-17-13-3-1-2-4-14(13)18(15)16-9-11-5-7-12(8-6-11)19(21)22/h1-9,20H,10H2 |
| InChIK | KSDOIQAPTNOKHB-UHFFFAOYSA-N |
| TotalMolweight | 296.285 |
| Molweight | 296.285 |
| MonoisotopicMass | 296.090941 |
| CLogP | 1.2582 |
| CLogS | -5.199 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 224.12 |
| Relative PSA | 0.32514 |
| PolarSurfaceArea | 96.23 |
| Druglikeness | -1.9006 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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