Molecule

ID:86205

General Information
Structure
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Molecular Formula
C₇H₁₅Br
Molecular Mass
179.098
Exact Mass
178.03571248
Charge
0
InChI
InChI=1S/C7H15Br/c1-3-5-7(8)6-4-2/h7H,3-6H2,1-2H3
InChIKey
BNUTXEKPXPZAIT-UHFFFAOYSA-N
Canonic Smiles
CCCC(CCC)Br
Isomeric Smiles
BrC(CCC)CCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7290752
LogD (pH = 7.4)
3.7290752
Log P
3.7290752
Molar Refractivity
41.7132
Polarizability
16.274317
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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