Molecule

ID:44749

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅BrO₂
Molecular Mass
319.1931
Exact Mass
318.02554172
Charge
0
InChI
InChI=1S/C16H15BrO2/c1-11-5-12(2)7-14(6-11)10-19-16-4-3-13(9-18)8-15(16)17/h3-9H,10H2,1-2H3
InChIKey
LHVKCVQGCPZCMR-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)Br)OCc1cc(C)cc(c1)C
Isomeric Smiles
c1(c(OCc2cc(cc(c2)C)C)ccc(c1)C=O)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.0481453
LogD (pH = 7.4)
5.0481453
Log P
5.0481453
Molar Refractivity
81.423
Polarizability
30.574038
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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