2-(3-bromophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole
Formula:C23H19N2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-bromophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole is not a drug-like molecule.
| MolName | 2-(3-bromophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole |
| MolecularFormula | C23H19N2Br |
| Smiles | Brc1cc(N(C(C2)c3ccccc3)N=C2/C=C/c2ccccc2)ccc1 |
| InChI | InChI=1S/C23H19BrN2/c24-20-12-7-13-22(16-20)26-23(19-10-5-2-6-11-19)17-21(25-26)15-14-18-8-3-1-4-9-18/h1-16,23H,17H2/t23-/m0/s1 |
| InChIK | ZVEUCCWAZXLQNG-QHCPKHFHSA-N |
| TotalMolweight | 403.322 |
| Molweight | 403.322 |
| MonoisotopicMass | 402.073159 |
| CLogP | 6.3972 |
| CLogS | -5.529 |
| H Acceptors | 2 |
| TotalSurfaceArea | 283.94 |
| Relative PSA | 0.053039 |
| PolarSurfaceArea | 15.6 |
| Druglikeness | 1.0499 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
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1 - 2-(3-bromophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole | 2 - 2-(3-bromophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole
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