Molecule

ID:101207

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClNO₃S
Molecular Mass
247.6986
Exact Mass
247.00699187
Charge
0
InChI
InChI=1S/C9H10ClNO3S/c1-11-4-5-14-9-3-2-7(6-8(9)11)15(10,12)13/h2-3,6H,4-5H2,1H3
InChIKey
LHMOALYDXXCXLZ-UHFFFAOYSA-N
Canonic Smiles
CN1CCOc2c1cc(cc2)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1cc2N(CCOc2cc1)C)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.6983963
LogD (pH = 7.4)
1.6983964
Log P
1.6983964
Molar Refractivity
59.175
Polarizability
23.06366
Polar Surface Area
46.61
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