Molecule
ID:111932
General Information
Molecular Formula
C₉H₁₉Br
Molecular Mass
207.15116
Exact Mass
206.06701261
Charge
0
InChI
InChI=1S/C9H19Br/c1-8(5-6-10)7-9(2,3)4/h8H,5-7H2,1-4H3
InChIKey
JUHBYLSCAJAHEH-UHFFFAOYSA-N
Canonic Smiles
BrCCC(CC(C)(C)C)C
Isomeric Smiles
CC(CCBr)CC(C)(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.1086316
LogD (pH = 7.4)
4.1086316
Log P
4.1086316
Molar Refractivity
50.9437
Polarizability
19.917698
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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