N-[(Z)-benzylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
Formula:C15H12N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide |
| MolecularFormula | C15H12N4OS |
| Smiles | O=C(c1n[nH]c(-c2cccs2)c1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C15H12N4OS/c20-15(19-16-10-11-5-2-1-3-6-11)13-9-12(17-18-13)14-7-4-8-21-14/h1-10H,(H,17,18)(H,19,20) |
| InChIK | RKHHBSJTVGBQCN-UHFFFAOYSA-N |
| TotalMolweight | 296.353 |
| Molweight | 296.353 |
| MonoisotopicMass | 296.073181 |
| CLogP | 2.9229 |
| CLogS | -4.017 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 231.02 |
| Relative PSA | 0.35205 |
| PolarSurfaceArea | 98.38 |
| Druglikeness | 7.526 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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