Molecule

ID:102011

General Information
Structure
Molecular Formula
C₁₀H₁₁NO₃
Molecular Mass
193.19924
Exact Mass
193.07389322
Charge
0
InChI
InChI=1S/C10H11NO3/c1-13-10(12)8-5-7-3-2-4-14-9(7)11-6-8/h5-6H,2-4H2,1H3
InChIKey
GESYYXCOIIREIM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cnc2c(c1)CCCO2
Isomeric Smiles
c1(cnc2c(c1)CCCO2)C(=O)OC
Calculated Properties
JChem
LogD (pH = 5.5)
1.6802553
LogD (pH = 7.4)
1.6802933
Log P
1.6802938
Molar Refractivity
50.6137
Polarizability
19.287682
Polar Surface Area
48.42
Rotatable Bonds
2
Lipinski's Rule of Five
true
H Acceptors
3
H Donor
0
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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