Molecule

ID:110320

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₀Br₆O₂
Molecular Mass
757.8536
Exact Mass
751.7346022
Charge
0
InChI
InChI=1S/C18H30Br6O2/c1-2-12(19)14(21)10-16(23)17(24)11-15(22)13(20)8-6-4-3-5-7-9-18(25)26/h12-17H,2-11H2,1H3,(H,25,26)
InChIKey
XIVWIZLTAYDHDS-UHFFFAOYSA-N
Canonic Smiles
CCC(C(CC(C(CC(C(CCCCCCCC(=O)O)Br)Br)Br)Br)Br)Br
Isomeric Smiles
CCC(Br)C(Br)CC(Br)C(Br)CC(Br)C(Br)CCCCCCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.0754004
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
7.418549
LogD (pH = 7.4)
5.741549
Log P
8.855788
Molar Refractivity
131.4984
Polarizability
51.847378
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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