[(5E)-4-chloro-5-(furan-2-ylmethylidene)imidazol-2-yl]hydrazine
Formula:C8H7N4OCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(5E)-4-chloro-5-(furan-2-ylmethylidene)imidazol-2-yl]hydrazine is a drug-like molecule.
| MolName | [(5E)-4-chloro-5-(furan-2-ylmethylidene)imidazol-2-yl]hydrazine |
| MolecularFormula | C8H7N4OCl |
| Smiles | NNC(N=C1Cl)=N/C1=C/c1ccco1 |
| InChI | InChI=1S/C8H7ClN4O/c9-7-6(11-8(12-7)13-10)4-5-2-1-3-14-5/h1-4H,10H2,(H,11,13) |
| InChIK | ODTQWDDTNYYUGU-UHFFFAOYSA-N |
| TotalMolweight | 210.624 |
| Molweight | 210.624 |
| MonoisotopicMass | 210.030838 |
| CLogP | -0.5951 |
| CLogS | -2.975 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 155.5 |
| Relative PSA | 0.41068 |
| PolarSurfaceArea | 75.91 |
| Druglikeness | -2.1277 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-halogenide type; allyl/benzyl chloride; hydrazine |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| BasicNitrogens | 2 |
| StereoCon |
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