Molecule

ID:17307

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO₄
Molecular Mass
263.28908
Exact Mass
263.11575803
Charge
0
InChI
InChI=1S/C14H17NO4/c1-14(2,3)9-4-5-11-10(6-9)15(7-13(17)18)12(16)8-19-11/h4-6H,7-8H2,1-3H3,(H,17,18)
InChIKey
XICYYKNNXZERPT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1C(=O)COc2c1cc(cc2)C(C)(C)C
Isomeric Smiles
c12N(C(=O)COc1ccc(c2)C(C)(C)C)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.9019327
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.037887167
LogD (pH = 7.4)
-1.5708721
Log P
1.6417196
Molar Refractivity
68.6915
Polarizability
26.677599
Polar Surface Area
66.84
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