Molecule

ID:36162

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO₄
Molecular Mass
263.28908
Exact Mass
263.11575803
Charge
0
InChI
InChI=1S/C14H17NO4/c1-14(2)10(11(14)13(17)18)12(16)15-8-4-6-9(19-3)7-5-8/h4-7,10-11H,1-3H3,(H,15,16)(H,17,18)
InChIKey
WLLXQBKWDFUXPD-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)NC(=O)C1C(C1(C)C)C(=O)O
Isomeric Smiles
C1(C(C1C(=O)O)(C)C)C(=O)Nc1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
3.9268034
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.06302072
LogD (pH = 7.4)
-1.5566456
Log P
1.6428919
Molar Refractivity
70.047
Polarizability
26.754644
Polar Surface Area
75.63
Rotatable Bonds
4
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