Molecule

ID:48744

General Information
Structure
Molecular Formula
C₈H₁₇ClN₂O₂
Molecular Mass
208.68578
Exact Mass
208.09785547
Charge
0
InChI
InChI=1S/C8H16N2O2.ClH/c1-6(9)8(12)10-4-2-7(11)3-5-10;/h6-7,11H,2-5,9H2,1H3;1H
InChIKey
LEYCKNOEJUXTAL-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)N1CCC(CC1)O)N.Cl
Isomeric Smiles
N1(C(=O)C(N)C)CCC(CC1)O.Cl
Calculated Properties
JChem
Acid pKa
15.177587
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.2703786
LogD (pH = 7.4)
-2.6408126
Log P
-1.6202422
Molar Refractivity
45.8372
Polarizability
18.112263
Polar Surface Area
66.56
Rotatable Bonds
1
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