Molecule

ID:90592

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂S
Molecular Mass
186.2315
Exact Mass
186.04629857
Charge
0
InChI
InChI=1S/C7H10N2O2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3
InChIKey
XWUNCRCMUXPZDR-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1N)S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(c1cc(c(cc1)N)N)C
Calculated Properties
JChem
Acid pKa
19.755398
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.84459466
LogD (pH = 7.4)
-0.8443013
Log P
-0.8442975
Molar Refractivity
49.4624
Polarizability
18.61751
Polar Surface Area
86.18
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