Molecule

ID:56997

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇NO₃
Molecular Mass
271.31108
Exact Mass
271.12084341
Charge
0
InChI
InChI=1S/C16H17NO3/c1-3-20-16(19)13-9-17-6-4-5-11-7-10(2)8-12(14(11)17)15(13)18/h7-9H,3-6H2,1-2H3
InChIKey
WLEREMUNROZEOU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cn2CCCc3c2c(c1=O)cc(c3)C
Isomeric Smiles
c1(cc2c3c(c1)c(=O)c(cn3CCC2)C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1070194
LogD (pH = 7.4)
3.1070194
Log P
3.1070194
Molar Refractivity
77.7973
Polarizability
28.845528
Polar Surface Area
46.61
Rotatable Bonds
3
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