Molecule

ID:45637

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈ClNO₃
Molecular Mass
223.69712
Exact Mass
223.09752112
Charge
0
InChI
InChI=1S/C9H17NO3.ClH/c1-12-7-9(11)13-6-8-2-4-10-5-3-8;/h8,10H,2-7H2,1H3;1H
InChIKey
WOBKPPIBOZWWNZ-UHFFFAOYSA-N
Canonic Smiles
COCC(=O)OCC1CCNCC1.Cl
Isomeric Smiles
C(=O)(OCC1CCNCC1)COC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.3786352
LogD (pH = 7.4)
-2.9178636
Log P
-0.14721426
Molar Refractivity
48.8406
Polarizability
19.587364
Polar Surface Area
47.56
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