Molecule

ID:135331

General Information
Structure
Molecular Formula
C₁₈H₃₇Br
Molecular Mass
333.39038
Exact Mass
332.20786318
Charge
0
InChI
InChI=1S/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
InChIKey
WSULSMOGMLRGKU-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCBr
Isomeric Smiles
CCCCCCCCCCCCCCCCCCBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
8.56937
LogD (pH = 7.4)
8.56937
Log P
8.56937
Molar Refractivity
92.5834
Polarizability
36.420616
Polar Surface Area
0.0
Rotatable Bonds
16
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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