Molecule

ID:91962

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂OS
Molecular Mass
218.2749
Exact Mass
218.05138395
Charge
0
InChI
InChI=1S/C11H10N2OS/c12-10(14)6-11-13-9(7-15-11)8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,14)
InChIKey
MITSOTISLAVGFW-UHFFFAOYSA-N
Canonic Smiles
NC(=O)Cc1scc(n1)c1ccccc1
Isomeric Smiles
n1c(scc1c1ccccc1)CC(=O)N
Calculated Properties
JChem
Acid pKa
15.864939
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8734397
LogD (pH = 7.4)
1.8734646
Log P
1.8734648
Molar Refractivity
58.6376
Polarizability
23.938328
Polar Surface Area
55.98
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