Molecule

ID:57946

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₃
Molecular Mass
199.24688
Exact Mass
199.12084341
Charge
0
InChI
InChI=1S/C10H17NO3/c1-3-14-10(13)9-5-4-6-11(7-9)8(2)12/h9H,3-7H2,1-2H3
InChIKey
QPSYWOLGKVKKHD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCCN(C1)C(=O)C
Isomeric Smiles
N1(C(=O)C)CC(C(=O)OCC)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.14878324
LogD (pH = 7.4)
0.1487839
Log P
0.14878392
Molar Refractivity
52.0049
Polarizability
20.43282
Polar Surface Area
46.61
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