Molecule

ID:51448

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO₃
Molecular Mass
195.64396
Exact Mass
195.06622099
Charge
0
InChI
InChI=1S/C7H13NO3.ClH/c1-2-11-7(9)6-5-10-4-3-8-6;/h6,8H,2-5H2,1H3;1H
InChIKey
RERWECVXIGGYMH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1COCCN1.Cl
Isomeric Smiles
N1C(COCC1)C(=O)OCC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.27923122
LogD (pH = 7.4)
-0.21955378
Log P
-0.21873732
Molar Refractivity
39.1155
Polarizability
15.927211
Polar Surface Area
47.56
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