Molecule

ID:79454

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁Br
Molecular Mass
269.22054
Exact Mass
268.08266267
Charge
0
InChI
InChI=1S/C14H21Br/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-8H2,1H3
InChIKey
OOZQSVXPBCINJF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCc1ccc(cc1)Br
Isomeric Smiles
Brc1ccc(cc1)CCCCCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.3674006
LogD (pH = 7.4)
6.3674006
Log P
6.3674006
Molar Refractivity
70.929
Polarizability
27.640945
Polar Surface Area
0.0
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation