3-(3,4-dichlorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Formula:C15H10N4OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(3,4-dichlorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-(3,4-dichlorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C15H10N4OCl2S |
| Smiles | O=C(c1cc(-c(cc2)cc(Cl)c2Cl)n[nH]1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C15H10Cl2N4OS/c16-11-4-3-9(6-12(11)17)13-7-14(20-19-13)15(22)21-18-8-10-2-1-5-23-10/h1-8H,(H,19,20)(H,21,22) |
| InChIK | GSTPJVOLORGHIX-UHFFFAOYSA-N |
| TotalMolweight | 365.243 |
| Molweight | 365.243 |
| MonoisotopicMass | 363.995235 |
| CLogP | 3.978 |
| CLogS | -5.578 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 261.86 |
| Relative PSA | 0.31059 |
| PolarSurfaceArea | 98.38 |
| Druglikeness | 6.9001 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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