Molecule

ID:24610

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂S
Molecular Mass
218.31796
Exact Mass
218.08776946
Charge
0
InChI
InChI=1S/C12H14N2S/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2
InChIKey
CYASANLJWAJEPW-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)c1nc2c(s1)cccc2
Isomeric Smiles
n1c(sc2c1cccc2)C1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8697961
LogD (pH = 7.4)
-0.047563817
Log P
2.3401144
Molar Refractivity
62.001
Polarizability
25.565914
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