Molecule

ID:40628

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClN₂OS
Molecular Mass
250.70408
Exact Mass
249.99676153
Charge
0
InChI
InChI=1S/C11H7ClN2OS/c12-11-14-6-10(16-11)7-15-9-3-1-8(5-13)2-4-9/h1-4,6H,7H2
InChIKey
DXWMIWQOLXLUMR-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)OCc1cnc(s1)Cl
Isomeric Smiles
c1(sc(cn1)COc1ccc(cc1)C#N)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.101388
LogD (pH = 7.4)
3.1013904
Log P
3.1013904
Molar Refractivity
62.8738
Polarizability
24.080563
Polar Surface Area
45.91
Rotatable Bonds
3
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