Molecule

ID:35771

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₃
Molecular Mass
209.2417
Exact Mass
209.10519335
Charge
0
InChI
InChI=1S/C11H15NO3/c1-14-10-3-4-11(15-2)9(7-10)5-6-12-8-13/h3-4,7-8H,5-6H2,1-2H3,(H,12,13)
InChIKey
HGLBBKSAIHWVIF-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1CCNC=O)OC
Isomeric Smiles
c1(c(ccc(c1)OC)OC)CCNC=O
Calculated Properties
JChem
Acid pKa
15.651915
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.84248054
LogD (pH = 7.4)
0.84248084
Log P
0.84248084
Molar Refractivity
57.1661
Polarizability
22.103142
Polar Surface Area
47.56
Rotatable Bonds
5
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