Molecule

ID:65992

General Information
Structure
Molecular Formula
C₁₁H₁₀O₃
Molecular Mass
190.1953
Exact Mass
190.06299418
Charge
0
InChI
InChI=1S/C11H10O3/c1-7-8-5-3-4-6-9(8)14-10(7)11(12)13-2/h3-6H,1-2H3
InChIKey
HVUOTQOUAMXGLR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1oc2c(c1C)cccc2
Isomeric Smiles
c1(oc2c(c1C)cccc2)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5692687
LogD (pH = 7.4)
2.5692687
Log P
2.5692687
Molar Refractivity
51.8431
Polarizability
20.89863
Polar Surface Area
39.44
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