Molecule

ID:56773

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClOS
Molecular Mass
214.71174
Exact Mass
214.02191365
Charge
0
InChI
InChI=1S/C10H11ClOS/c1-6-2-3-7-8(10(11)12)5-13-9(7)4-6/h5-6H,2-4H2,1H3
InChIKey
RUZYUHUCGVUZGR-UHFFFAOYSA-N
Canonic Smiles
CC1CCc2c(C1)scc2C(=O)Cl
Isomeric Smiles
c1(c2c(sc1)CC(CC2)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.816313
LogD (pH = 7.4)
3.816313
Log P
3.816313
Molar Refractivity
56.2474
Polarizability
21.096312
Polar Surface Area
17.07
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