Molecule

ID:91053

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₅BrO₂
Molecular Mass
363.3733
Exact Mass
362.18204236
Charge
0
InChI
InChI=1S/C18H35BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17H,2-16H2,1H3,(H,20,21)
InChIKey
KRBFFJIZAKABSA-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCC(C(=O)O)Br
Isomeric Smiles
OC(=O)C(CCCCCCCCCCCCCCCC)Br
Calculated Properties
JChem
Acid pKa
3.59545
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.9149947
LogD (pH = 7.4)
4.4701195
Log P
7.814741
Molar Refractivity
93.8123
Polarizability
37.00464
Polar Surface Area
37.3
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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