Molecule

ID:134278

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₉BrO₂
Molecular Mass
369.33636
Exact Mass
368.13509217
Charge
0
InChI
InChI=1S/C19H29BrO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h11-16,21H,3-10H2,1-2H3/t11-,12+,13+,14-,15-,16-,18-,19-/m0/s1
InChIKey
CWVMWSZEMZOUPC-RWUIUEHLSA-N
Canonic Smiles
O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@@H](C2=O)Br)C)C
Isomeric Smiles
C[C@]12CC[C@H](C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@@H](C2=O)Br)C)O
Calculated Properties
JChem
Acid pKa
17.860983
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.4363055
LogD (pH = 7.4)
4.4363055
Log P
4.4363055
Molar Refractivity
91.3356
Polarizability
36.15225
Polar Surface Area
37.3
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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