Molecule

ID:68459

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₄
Molecular Mass
215.24628
Exact Mass
215.11575803
Charge
0
InChI
InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-5-4-7(12)6-8(11)13/h7,12H,4-6H2,1-3H3
InChIKey
KCUXWAQHQHPYFT-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(C(=O)C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)CC(CC1)O)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.993296
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.22321339
LogD (pH = 7.4)
0.22321337
Log P
0.22321339
Molar Refractivity
53.3259
Polarizability
21.102367
Polar Surface Area
66.84
Rotatable Bonds
2
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