Molecule
ID:7351
General Information
Molecular Formula
C₇H₄ClIO₂
Molecular Mass
282.46293
Exact Mass
281.89445505
Charge
0
InChI
InChI=1S/C7H4ClIO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChIKey
SDRURVZKYHGDAP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(c(c1)I)Cl
Isomeric Smiles
c1cc(cc(c1Cl)I)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9606247
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6164978
LogD (pH = 7.4)
-0.01739946
Log P
3.163818
Molar Refractivity
51.4815
Polarizability
19.991568
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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...