Molecule

ID:39258

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₄
Molecular Mass
265.30496
Exact Mass
265.13140809
Charge
0
InChI
InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-9-11-6-4-10(5-7-11)8-12(16)17/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
LXPQNTNSSNXGIN-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NCc1ccc(cc1)CC(=O)O
Isomeric Smiles
c1c(ccc(c1)CC(=O)O)CNC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.0340285
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.75202
LogD (pH = 7.4)
-0.9103678
Log P
2.22886
Molar Refractivity
70.712
Polarizability
27.492897
Polar Surface Area
75.63
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