Molecule

ID:75614

General Information
Structure
MolImage
Molecular Formula
C₇H₉BrClN
Molecular Mass
222.51006
Exact Mass
220.96068897
Charge
0
InChI
InChI=1S/C7H8BrN.ClH/c1-9-7-5-3-2-4-6(7)8;/h2-5,9H,1H3;1H
InChIKey
BXUFFBPLMGZFJO-UHFFFAOYSA-N
Canonic Smiles
CNc1ccccc1Br.Cl
Isomeric Smiles
Brc1c(cccc1)NC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2066765
LogD (pH = 7.4)
2.2146738
Log P
2.2147765
Molar Refractivity
43.8746
Polarizability
16.080606
Polar Surface Area
12.03
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