(Z)-1-(5-nitrothiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
Formula:C7H5N5O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(5-nitrothiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-(5-nitrothiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine |
| MolecularFormula | C7H5N5O2S |
| Smiles | [O-][N+](c1ccc(/C=N\n2cnnc2)s1)=O |
| InChI | InChI=1S/C7H5N5O2S/c13-12(14)7-2-1-6(15-7)3-10-11-4-8-9-5-11/h1-5H |
| InChIK | VYOQUFPFHIRAKG-UHFFFAOYSA-N |
| TotalMolweight | 223.216 |
| Molweight | 223.216 |
| MonoisotopicMass | 223.016395 |
| CLogP | 0.3629 |
| CLogS | -4.93 |
| H Acceptors | 7 |
| TotalSurfaceArea | 164.11 |
| Relative PSA | 0.55512 |
| PolarSurfaceArea | 117.13 |
| Druglikeness | -0.4332 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (Z)-1-(5-nitrothiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-(5-nitrothiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
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