3-(4-chlorophenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-phenylpyrazole-4-carboxamide
Formula:C21H14N5O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-(4-chlorophenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-phenylpyrazole-4-carboxamide is a drug-like molecule.
| MolName | 3-(4-chlorophenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-phenylpyrazole-4-carboxamide |
| MolecularFormula | C21H14N5O4Cl |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2cn(-c3ccccc3)nc2-c(cc2)ccc2Cl)=O)o1)=O |
| InChI | InChI=1S/C21H14ClN5O4/c22-15-8-6-14(7-9-15)20-18(13-26(25-20)16-4-2-1-3-5-16)21(28)24-23-12-17-10-11-19(31-17)27(29)30/h1-13H,(H,24,28) |
| InChIK | WCAWQIWJPFFYGV-UHFFFAOYSA-N |
| TotalMolweight | 435.826 |
| Molweight | 435.826 |
| MonoisotopicMass | 435.073432 |
| CLogP | 3.3451 |
| CLogS | -6.637 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 323.25 |
| Relative PSA | 0.30435 |
| PolarSurfaceArea | 118.24 |
| Druglikeness | 4.7121 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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