Molecule

ID:112426

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇Br
Molecular Mass
217.14598
Exact Mass
216.05136254
Charge
0
InChI
InChI=1S/C10H17Br/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8H,4-6H2,1-3H3
InChIKey
OTOQMOVZIUGCQE-UHFFFAOYSA-N
Canonic Smiles
BrC1CC2C(C1(C)CC2)(C)C
Isomeric Smiles
CC1(C)C2CCC1(C)C(Br)C2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.529545
LogD (pH = 7.4)
3.529545
Log P
3.529545
Molar Refractivity
51.3488
Polarizability
20.32744
Polar Surface Area
0.0
Rotatable Bonds
0
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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