Molecule

ID:34768

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇Br
Molecular Mass
229.15668
Exact Mass
228.05136254
Charge
0
InChI
InChI=1S/C11H17Br/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7H2
InChIKey
RLRBYCAVZBQANU-UHFFFAOYSA-N
Canonic Smiles
BrCC12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C12(CC3CC(C1)CC(C2)C3)CBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4473996
LogD (pH = 7.4)
3.4473996
Log P
3.4473996
Molar Refractivity
54.4803
Polarizability
21.441784
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
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