(3Z)-3-[(2-bromophenyl)methoxyimino]-1-(2-phenyl-1,3-thiazol-5-yl)propan-1-one
Formula:C19H15N2O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[(2-bromophenyl)methoxyimino]-1-(2-phenyl-1,3-thiazol-5-yl)propan-1-one is a drug-like molecule.
| MolName | (3Z)-3-[(2-bromophenyl)methoxyimino]-1-(2-phenyl-1,3-thiazol-5-yl)propan-1-one |
| MolecularFormula | C19H15N2O2BrS |
| Smiles | O=C(C/C=N\OCc(cccc1)c1Br)c1cnc(-c2ccccc2)s1 |
| InChI | InChI=1S/C19H15BrN2O2S/c20-16-9-5-4-8-15(16)13-24-22-11-10-17(23)18-12-21-19(25-18)14-6-2-1-3-7-14/h1-9,11-12H,10,13H2 |
| InChIK | IPSABKQRUYNXMJ-UHFFFAOYSA-N |
| TotalMolweight | 415.31 |
| Molweight | 415.31 |
| MonoisotopicMass | 414.003759 |
| CLogP | 4.5515 |
| CLogS | -5.251 |
| H Acceptors | 4 |
| TotalSurfaceArea | 286.14 |
| Relative PSA | 0.23024 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 1.1067 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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