Molecule

ID:48773

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇ClN₂O₂
Molecular Mass
208.68578
Exact Mass
208.09785547
Charge
0
InChI
InChI=1S/C8H16N2O2.ClH/c1-9-6-8(12)10-4-2-7(11)3-5-10;/h7,9,11H,2-6H2,1H3;1H
InChIKey
XFRWLSCMFFKHFC-UHFFFAOYSA-N
Canonic Smiles
CNCC(=O)N1CCC(CC1)O.Cl
Isomeric Smiles
N1(C(=O)CNC)CCC(CC1)O.Cl
Calculated Properties
JChem
Acid pKa
15.177587
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.7323327
LogD (pH = 7.4)
-3.180871
Log P
-1.7564261
Molar Refractivity
46.1179
Polarizability
18.112263
Polar Surface Area
52.57
Rotatable Bonds
2
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