N-[(Z)-(3-hydroxyphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
Formula:C15H12N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-hydroxyphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide |
| MolecularFormula | C15H12N4O2S |
| Smiles | Oc1cccc(/C=N\NC(c2n[nH]c(-c3cccs3)c2)=O)c1 |
| InChI | InChI=1S/C15H12N4O2S/c20-11-4-1-3-10(7-11)9-16-19-15(21)13-8-12(17-18-13)14-5-2-6-22-14/h1-9,20H,(H,17,18)(H,19,21) |
| InChIK | ZCIMIODABQDZHX-UHFFFAOYSA-N |
| TotalMolweight | 312.352 |
| Molweight | 312.352 |
| MonoisotopicMass | 312.068096 |
| CLogP | 2.5772 |
| CLogS | -3.721 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 237.37 |
| Relative PSA | 0.39782 |
| PolarSurfaceArea | 118.61 |
| Druglikeness | 7.513 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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