Molecule

ID:60591

General Information
Structure
Molecular Formula
C₁₅H₁₉NO₅
Molecular Mass
293.31506
Exact Mass
293.12632271
Charge
0
InChI
InChI=1S/C15H19NO5/c1-15(2,3)21-14(19)16-8-12(9-16)20-11-6-4-5-10(7-11)13(17)18/h4-7,12H,8-9H2,1-3H3,(H,17,18)
InChIKey
SGEYBVUVIKAEMJ-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CC(C1)Oc1cccc(c1)C(=O)O)OC(C)(C)C
Isomeric Smiles
C1N(CC1Oc1cc(ccc1)C(=O)O)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.837011
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.6137317
LogD (pH = 7.4)
-0.9648044
Log P
2.2801893
Molar Refractivity
75.1981
Polarizability
29.300116
Polar Surface Area
76.07
Rotatable Bonds
5
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