Molecule

ID:30574

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClO₃
Molecular Mass
214.64554
Exact Mass
214.03967189
Charge
0
InChI
InChI=1S/C10H11ClO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5H,6H2,1-2H3
InChIKey
UUESDDFAPHJARU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)C(=O)CCl)OC
Isomeric Smiles
c1(C(=O)CCl)c(ccc(c1)OC)OC
Calculated Properties
JChem
Acid pKa
14.73769
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7528946
LogD (pH = 7.4)
1.7528946
Log P
1.7528946
Molar Refractivity
54.1404
Polarizability
20.966784
Polar Surface Area
35.53
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