N-[(Z)-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]methylideneamino]furan-2-carboxamide
Formula:C21H15N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]methylideneamino]furan-2-carboxamide |
| MolecularFormula | C21H15N5O4 |
| Smiles | [O-][N+](c(cc1)ccc1-n(cc1/C=N\NC(c2ccco2)=O)nc1-c1ccccc1)=O |
| InChI | InChI=1S/C21H15N5O4/c27-21(19-7-4-12-30-19)23-22-13-16-14-25(17-8-10-18(11-9-17)26(28)29)24-20(16)15-5-2-1-3-6-15/h1-14H,(H,23,27) |
| InChIK | DGENTZCUXWPTIB-UHFFFAOYSA-N |
| TotalMolweight | 401.381 |
| Molweight | 401.381 |
| MonoisotopicMass | 401.112405 |
| CLogP | 2.3877 |
| CLogS | -5.376 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 307.83 |
| Relative PSA | 0.31959 |
| PolarSurfaceArea | 118.24 |
| Druglikeness | 0.71549 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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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