(Z)-N-(benzimidazol-1-yl)-1-(3-nitrophenyl)methanimine
Formula:C14H10N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(benzimidazol-1-yl)-1-(3-nitrophenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-(benzimidazol-1-yl)-1-(3-nitrophenyl)methanimine |
| MolecularFormula | C14H10N4O2 |
| Smiles | [O-][N+](c1cc(/C=N\n2c(cccc3)c3nc2)ccc1)=O |
| InChI | InChI=1S/C14H10N4O2/c19-18(20)12-5-3-4-11(8-12)9-16-17-10-15-13-6-1-2-7-14(13)17/h1-10H |
| InChIK | AKCHBHAIRTVMTK-UHFFFAOYSA-N |
| TotalMolweight | 266.259 |
| Molweight | 266.259 |
| MonoisotopicMass | 266.080376 |
| CLogP | 1.966 |
| CLogS | -6.031 |
| H Acceptors | 6 |
| TotalSurfaceArea | 204.01 |
| Relative PSA | 0.29298 |
| PolarSurfaceArea | 76 |
| Druglikeness | -1.665 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-(benzimidazol-1-yl)-1-(3-nitrophenyl)methanimine | 2 - (Z)-N-(benzimidazol-1-yl)-1-(3-nitrophenyl)methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off