Molecule

ID:30132

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO₃
Molecular Mass
195.64396
Exact Mass
195.06622099
Charge
0
InChI
InChI=1S/C7H13NO3.ClH/c9-7(10)1-2-8-3-5-11-6-4-8;/h1-6H2,(H,9,10);1H
InChIKey
JLAHMPKUDAJSKA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCN1CCOCC1.Cl
Isomeric Smiles
C(=O)(CCN1CCOCC1)O.Cl
Calculated Properties
JChem
Acid pKa
3.5837343
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.9740157
LogD (pH = 7.4)
-3.1201656
Log P
-2.9762132
Molar Refractivity
39.8466
Polarizability
15.687127
Polar Surface Area
49.77
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