N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
Formula:C15H10N5O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide |
| MolecularFormula | C15H10N5O3ClS |
| Smiles | [O-][N+](c(cc(/C=N\NC(c1n[nH]c(-c2cccs2)c1)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C15H10ClN5O3S/c16-10-4-3-9(6-13(10)21(23)24)8-17-20-15(22)12-7-11(18-19-12)14-2-1-5-25-14/h1-8H,(H,18,19)(H,20,22) |
| InChIK | FYUCVJHCVOENON-UHFFFAOYSA-N |
| TotalMolweight | 375.795 |
| Molweight | 375.795 |
| MonoisotopicMass | 375.019287 |
| CLogP | 2.6073 |
| CLogS | -5.213 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 270.11 |
| Relative PSA | 0.41372 |
| PolarSurfaceArea | 144.2 |
| Druglikeness | 2.4854 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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