Molecule

ID:37291

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Cl₂O₃
Molecular Mass
297.1334
Exact Mass
296.00069954
Charge
0
InChI
InChI=1S/C14H10Cl2O3/c15-12-6-1-9(7-13(12)16)8-19-11-4-2-10(3-5-11)14(17)18/h1-7H,8H2,(H,17,18)
InChIKey
ZCGYVYRMBOFTPZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)OCc1ccc(c(c1)Cl)Cl
Isomeric Smiles
C(=O)(c1ccc(OCc2cc(c(cc2)Cl)Cl)cc1)O
Calculated Properties
JChem
Acid pKa
4.35633
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.233705
LogD (pH = 7.4)
1.4844431
Log P
4.4057198
Molar Refractivity
73.9996
Polarizability
28.579163
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
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation