Molecule

ID:37273

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Cl₂O₃
Molecular Mass
297.1334
Exact Mass
296.00069954
Charge
0
InChI
InChI=1S/C14H10Cl2O3/c15-11-5-3-6-12(16)10(11)8-19-13-7-2-1-4-9(13)14(17)18/h1-7H,8H2,(H,17,18)
InChIKey
QLLWQACDCKPXBQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1OCc1c(Cl)cccc1Cl
Isomeric Smiles
c1cc(c(cc1)OCc1c(cccc1Cl)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7103808
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.6169422
LogD (pH = 7.4)
1.1044586
Log P
4.4057198
Molar Refractivity
73.9996
Polarizability
28.565403
Polar Surface Area
46.53
Rotatable Bonds
4
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