Molecule

ID:51308

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆ClNOS
Molecular Mass
209.73674
Exact Mass
209.06411282
Charge
0
InChI
InChI=1S/C8H15NOS.ClH/c10-7-3-1-2-4-8(7)9-5-6-11-8;/h7,9-10H,1-6H2;1H
InChIKey
QZWZUXHWFIANJX-UHFFFAOYSA-N
Canonic Smiles
OC1CCCCC21NCCS2.Cl
Isomeric Smiles
C12(NCCS1)C(O)CCCC2.Cl
Calculated Properties
JChem
Acid pKa
14.051356
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.6636904
LogD (pH = 7.4)
0.021448635
Log P
1.1127152
Molar Refractivity
47.659
Polarizability
19.222132
Polar Surface Area
32.26
Rotatable Bonds
0
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