Molecule

ID:120664

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈Cl₂O₃
Molecular Mass
283.10682
Exact Mass
281.98504948
Charge
0
InChI
InChI=1S/C13H8Cl2O3/c14-8-1-4-10(11(15)7-8)12-5-2-9(18-12)3-6-13(16)17/h1-7H,(H,16,17)/b6-3+
InChIKey
QJQFGFOMBCTNDH-ZZXKWVIFSA-N
Canonic Smiles
OC(=O)/C=C/c1ccc(o1)c1ccc(cc1Cl)Cl
Isomeric Smiles
c1(c2c(cc(cc2)Cl)Cl)oc(cc1)/C=C/C(=O)O
Calculated Properties
JChem
Acid pKa
3.5868673
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0636246
LogD (pH = 7.4)
0.62407136
Log P
3.9716487
Molar Refractivity
70.0741
Polarizability
27.788204
Polar Surface Area
50.44
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
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
Bioactivity
Navigation