Molecule

ID:82190

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₉BrO₂
Molecular Mass
371.26766
Exact Mass
370.05684185
Charge
0
InChI
InChI=1S/C20H19BrO2/c1-23-16-12-15-17(18(16)21)20(19(15)22,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15-18H,12H2,1H3/t15-,16+,17+,18-/m1/s1
InChIKey
PODFRQAFLRTTRZ-VSZNYVQBSA-N
Canonic Smiles
CO[C@H]1C[C@@H]2[C@@H]([C@@H]1Br)C(C2=O)(c1ccccc1)c1ccccc1
Isomeric Smiles
O=C1C([C@H]2[C@H]1C[C@@H]([C@H]2Br)OC)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
15.936367
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.576059
LogD (pH = 7.4)
4.576059
Log P
4.576059
Molar Refractivity
93.852
Polarizability
36.551907
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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