Molecule

ID:83183

General Information
Structure
Molecular Formula
C₁₄H₁₉NO₃
Molecular Mass
249.30556
Exact Mass
249.13649347
Charge
0
InChI
InChI=1S/C14H19NO3/c1-5-18-14(17)13-9(3)15(11-6-7-11)8(2)12(13)10(4)16/h11H,5-7H2,1-4H3
InChIKey
KUMRNXGGFLRUIV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(C)n(c(c1C(=O)C)C)C1CC1
Isomeric Smiles
n1(C2CC2)c(c(c(c1C)C(=O)C)C(=O)OCC)C
Calculated Properties
JChem
Acid pKa
15.564038
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0594256
LogD (pH = 7.4)
2.0594256
Log P
2.0594256
Molar Refractivity
70.4008
Polarizability
26.302723
Polar Surface Area
48.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
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