N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
Formula:C15H10N4OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide |
| MolecularFormula | C15H10N4OCl2S |
| Smiles | O=C(c1n[nH]c(-c2cccs2)c1)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C15H10Cl2N4OS/c16-10-4-3-9(6-11(10)17)8-18-21-15(22)13-7-12(19-20-13)14-2-1-5-23-14/h1-8H,(H,19,20)(H,21,22) |
| InChIK | VSHYTWWJZBZQAF-UHFFFAOYSA-N |
| TotalMolweight | 365.243 |
| Molweight | 365.243 |
| MonoisotopicMass | 363.995235 |
| CLogP | 4.1349 |
| CLogS | -5.489 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 261.86 |
| Relative PSA | 0.31059 |
| PolarSurfaceArea | 98.38 |
| Druglikeness | 7.5501 |
| 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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1 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide | 2 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
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