Molecule

ID:69356

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅BrO
Molecular Mass
195.0974
Exact Mass
194.0306271
Charge
0
InChI
InChI=1S/C7H15BrO/c8-6-4-2-1-3-5-7-9/h9H,1-7H2
InChIKey
MMXRRNUXCHUHOE-UHFFFAOYSA-N
Canonic Smiles
OCCCCCCCBr
Isomeric Smiles
C(CCCCCCBr)O
Calculated Properties
JChem
Acid pKa
16.843943
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2424364
LogD (pH = 7.4)
2.2424364
Log P
2.2424364
Molar Refractivity
43.9011
Polarizability
16.967865
Polar Surface Area
20.23
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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