Molecule

ID:24116

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClN₃S
Molecular Mass
255.76696
Exact Mass
255.05969614
Charge
0
InChI
InChI=1S/C11H13N3S.ClH/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14;/h1-4,12H,5-8H2;1H
InChIKey
DOQLJTKEUIJSKK-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)c1nsc2c1cccc2.Cl
Isomeric Smiles
c1(nsc2c1cccc2)N1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.7215332
LogD (pH = 7.4)
0.8770758
Log P
2.2050152
Molar Refractivity
63.7308
Polarizability
24.920584
Polar Surface Area
28.16
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