N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-chloro-1H-benzimidazol-2-amine
Formula:C15H11N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-chloro-1H-benzimidazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-chloro-1H-benzimidazol-2-amine |
| MolecularFormula | C15H11N4O2Cl |
| Smiles | Clc(cc1)cc2c1nc(N/N=C\c(cc1)cc3c1OCO3)[nH]2 |
| InChI | InChI=1S/C15H11ClN4O2/c16-10-2-3-11-12(6-10)19-15(18-11)20-17-7-9-1-4-13-14(5-9)22-8-21-13/h1-7H,8H2,(H2,18,19,20) |
| InChIK | LDMHLYBIISWVES-UHFFFAOYSA-N |
| TotalMolweight | 314.731 |
| Molweight | 314.731 |
| MonoisotopicMass | 314.057053 |
| CLogP | 5.5274 |
| CLogS | -5.078 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 227.85 |
| Relative PSA | 0.29813 |
| PolarSurfaceArea | 71.53 |
| Druglikeness | 2.8789 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-chloro-1H-benzimidazol-2-amine | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-chloro-1H-benzimidazol-2-amine
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