Molecule
ID:79727
General Information
Molecular Formula
C₁₀H₇Cl₂NO
Molecular Mass
228.07468
Exact Mass
226.99046921
Charge
0
InChI
InChI=1S/C10H7Cl2NO/c1-14-9-8(11)6-4-2-3-5-7(6)13-10(9)12/h2-5H,1H3
InChIKey
RKPHIZLAMUGPME-UHFFFAOYSA-N
Canonic Smiles
COc1c(Cl)nc2c(c1Cl)cccc2
Isomeric Smiles
n1c2c(c(c(c1Cl)OC)Cl)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4014952
LogD (pH = 7.4)
3.4014957
Log P
3.4014957
Molar Refractivity
57.1134
Polarizability
23.305109
Polar Surface Area
22.12
Rotatable Bonds
1
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...