Molecule

ID:62067

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂O₂S
Molecular Mass
302.82016
Exact Mass
302.08557654
Charge
0
InChI
InChI=1S/C13H19ClN2O2S/c1-19(17,18)16-7-2-3-11(5-8-16)9-12-4-6-15-13(14)10-12/h4,6,10-11H,2-3,5,7-9H2,1H3
InChIKey
BKFIDMVLSUZZRS-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc(c1)CC1CCCN(CC1)S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(N1CCC(Cc2cc(ncc2)Cl)CCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6789004
LogD (pH = 7.4)
1.6789776
Log P
1.6789786
Molar Refractivity
77.5571
Polarizability
30.635025
Polar Surface Area
50.27
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