Molecule
ID:120456
General Information
Molecular Formula
C₉H₁₀N₂O₂S
Molecular Mass
210.2529
Exact Mass
210.04629857
Charge
0
InChI
InChI=1S/C9H10N2O2S/c12-7-8(13)11(9(14)10-7)6-4-2-1-3-5-6/h1-5,7-8,12-13H,(H,10,14)
InChIKey
FIQRVISCOFLUSO-UHFFFAOYSA-N
Canonic Smiles
OC1C(O)NC(=S)N1c1ccccc1
Isomeric Smiles
C1(=S)N(C(C(N1)O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
11.72901
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
0.95504
LogD (pH = 7.4)
0.95502055
Log P
0.9550495
Molar Refractivity
55.692
Polarizability
22.069529
Polar Surface Area
55.73
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
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
Loading...
Bioactivity
Loading...