Molecule
ID:89329
General Information
Molecular Formula
C₅H₃Cl₂NO
Molecular Mass
163.98942
Exact Mass
162.95916908
Charge
0
InChI
InChI=1S/C5H3Cl2NO/c6-3-1-2-4(7)8-5(3)9/h1-2H,(H,8,9)
InChIKey
UGPDKBDRRLFGFD-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(n1)O)Cl
Isomeric Smiles
n1c(ccc(c1O)Cl)Cl
Calculated Properties
JChem
Acid pKa
9.220966
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4746506
LogD (pH = 7.4)
2.4683137
Log P
2.4747322
Molar Refractivity
36.8664
Polarizability
14.002579
Polar Surface Area
33.12
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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
Loading...
Bioactivity
Loading...