Molecule

ID:80017

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁BrClN
Molecular Mass
236.53664
Exact Mass
234.97633904
Charge
0
InChI
InChI=1S/C8H10BrN.ClH/c1-6-3-7(2)10-8(4-6)5-9;/h3-4H,5H2,1-2H3;1H
InChIKey
CYLBXPPILBKYBR-UHFFFAOYSA-N
Canonic Smiles
BrCc1cc(C)cc(n1)C.Cl
Isomeric Smiles
n1c(cc(cc1CBr)C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8236359
LogD (pH = 7.4)
2.2452013
Log P
2.2545743
Molar Refractivity
45.862
Polarizability
17.475924
Polar Surface Area
12.89
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