Molecule

ID:121620

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₃S
Molecular Mass
250.2737
Exact Mass
250.04121319
Charge
0
InChI
InChI=1S/C11H10N2O3S/c1-6(10(15)16)17-11-12-8-5-3-2-4-7(8)9(14)13-11/h2-6H,1H3,(H,15,16)(H,12,13,14)
InChIKey
VYCHQMHTSPQPMW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Sc1nc2ccccc2c(=O)[nH]1)C
Isomeric Smiles
c1([nH]c(=O)c2c(n1)cccc2)SC(C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.429443
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.18161713
LogD (pH = 7.4)
-1.5215844
Log P
1.8827748
Molar Refractivity
66.0353
Polarizability
24.174818
Polar Surface Area
78.76
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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