1-[(Z)-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-phenylurea
Formula:C23H18N6O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-phenylurea is a drug-like molecule.
| MolName | 1-[(Z)-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-phenylurea |
| MolecularFormula | C23H18N6O3 |
| Smiles | [O-][N+](c(cc1)ccc1-c(c(/C=N\NC(Nc1ccccc1)=O)c1)nn1-c1ccccc1)=O |
| InChI | InChI=1S/C23H18N6O3/c30-23(25-19-7-3-1-4-8-19)26-24-15-18-16-28(20-9-5-2-6-10-20)27-22(18)17-11-13-21(14-12-17)29(31)32/h1-16H,(H2,25,26,30) |
| InChIK | LPTMQHGIGUVSKU-UHFFFAOYSA-N |
| TotalMolweight | 426.435 |
| Molweight | 426.435 |
| MonoisotopicMass | 426.144039 |
| CLogP | 3.1929 |
| CLogS | -6.21 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 329.6 |
| Relative PSA | 0.29044 |
| PolarSurfaceArea | 117.13 |
| Druglikeness | 0.19963 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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