Molecule

ID:43810

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClO₃
Molecular Mass
226.65624
Exact Mass
226.03967189
Charge
0
InChI
InChI=1S/C11H11ClO3/c1-14-11(13)8-4-7-5-9(12)2-3-10(7)15-6-8/h2-3,5,8H,4,6H2,1H3
InChIKey
SPAAUUYJRNLHLI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1Cc2cc(Cl)ccc2OC1
Isomeric Smiles
C1(C(=O)OC)Cc2c(OC1)ccc(c2)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4286225
LogD (pH = 7.4)
2.4286225
Log P
2.4286225
Molar Refractivity
56.0916
Polarizability
22.15326
Polar Surface Area
35.53
Rotatable Bonds
2
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