[(Z)-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]urea
Formula:C17H14N6O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]urea |
| MolecularFormula | C17H14N6O3 |
| Smiles | NC(N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1[N+]([O-])=O)=O |
| InChI | InChI=1S/C17H14N6O3/c18-17(24)20-19-10-13-11-22(14-4-2-1-3-5-14)21-16(13)12-6-8-15(9-7-12)23(25)26/h1-11H,(H3,18,20,24) |
| InChIK | RPOQQKJOLGFQIH-UHFFFAOYSA-N |
| TotalMolweight | 350.337 |
| Molweight | 350.337 |
| MonoisotopicMass | 350.112739 |
| CLogP | 1.1327 |
| CLogS | -4.787 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 266.9 |
| Relative PSA | 0.37295 |
| PolarSurfaceArea | 131.12 |
| Druglikeness | 0.64268 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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