Molecule

ID:124005

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NO₃
Molecular Mass
187.23618
Exact Mass
187.12084341
Charge
0
InChI
InChI=1S/C9H17NO3/c1-12-9(11)3-2-4-10-5-7-13-8-6-10/h2-8H2,1H3
InChIKey
QZYHXBPEHSABEW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCCN1CCOCC1
Isomeric Smiles
N1(CCCC(=O)OC)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.0859382
LogD (pH = 7.4)
0.045252964
Log P
0.12122032
Molar Refractivity
49.3707
Polarizability
19.587364
Polar Surface Area
38.77
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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