Molecule

ID:33325

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆ClNO₃
Molecular Mass
197.65984
Exact Mass
197.08187106
Charge
0
InChI
InChI=1S/C7H15NO3.ClH/c1-8(5-6-11-2)4-3-7(9)10;/h3-6H2,1-2H3,(H,9,10);1H
InChIKey
DDYHVYYQZMFPJQ-UHFFFAOYSA-N
Canonic Smiles
COCCN(CCC(=O)O)C.Cl
Isomeric Smiles
C(=O)(CCN(CCOC)C)O.Cl
Calculated Properties
JChem
Acid pKa
3.7854
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.874482
LogD (pH = 7.4)
-2.8745866
Log P
-2.8699753
Molar Refractivity
41.8156
Polarizability
16.397003
Polar Surface Area
49.77
Rotatable Bonds
6
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