Molecule

ID:122562

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClN₂S
Molecular Mass
240.75232
Exact Mass
240.04879711
Charge
0
InChI
InChI=1S/C11H12N2S.ClH/c1-2-6-10-8(4-1)13-11(14-10)9-5-3-7-12-9;/h1-2,4,6,9,12H,3,5,7H2;1H
InChIKey
QGZFWPSLMFCWIL-UHFFFAOYSA-N
Canonic Smiles
C1CNC(C1)c1nc2c(s1)cccc2.Cl
Isomeric Smiles
c1(nc2c(s1)cccc2)C1NCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7427924
LogD (pH = 7.4)
0.59570765
Log P
2.3627408
Molar Refractivity
56.99
Polarizability
23.807055
Polar Surface Area
24.92
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