Molecule

ID:18760

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₃
Molecular Mass
223.26828
Exact Mass
223.12084341
Charge
0
InChI
InChI=1S/C12H17NO3/c1-13(2)6-7-16-11-5-4-10(9-14)8-12(11)15-3/h4-5,8-9H,6-7H2,1-3H3
InChIKey
NVRBLARAKLUVLA-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C=O)ccc1OCCN(C)C
Isomeric Smiles
c1(c(ccc(c1)C=O)OCCN(C)C)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-1.0446626
LogD (pH = 7.4)
0.7152895
Log P
1.3890501
Molar Refractivity
63.5875
Polarizability
24.309774
Polar Surface Area
38.77
Rotatable Bonds
6
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