Molecule

ID:62397

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₄
Molecular Mass
215.24628
Exact Mass
215.11575803
Charge
0
InChI
InChI=1S/C10H17NO4/c1-10(9(13)14)4-3-5-11(7-10)8(12)6-15-2/h3-7H2,1-2H3,(H,13,14)
InChIKey
AMDOHUNIBQGIQI-UHFFFAOYSA-N
Canonic Smiles
COCC(=O)N1CCCC(C1)(C)C(=O)O
Isomeric Smiles
C1(C(=O)O)(CN(C(=O)COC)CCC1)C
Calculated Properties
JChem
Acid pKa
4.3453774
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.1542218
LogD (pH = 7.4)
-2.901522
Log P
0.027974669
Molar Refractivity
53.4416
Polarizability
20.932104
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