Molecule

ID:8740

General Information
Structure
Molecular Formula
C₉H₁₉Br
Molecular Mass
207.15116
Exact Mass
206.06701261
Charge
0
InChI
InChI=1S/C9H19Br/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3
InChIKey
AYMUQTNXKPEMLM-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCBr
Isomeric Smiles
C(CCCCCCCC)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.5682526
LogD (pH = 7.4)
4.5682526
Log P
4.5682526
Molar Refractivity
51.1744
Polarizability
19.917692
Polar Surface Area
0.0
Rotatable Bonds
7
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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