Molecule

ID:57241

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂S
Molecular Mass
207.24896
Exact Mass
207.03539953
Charge
0
InChI
InChI=1S/C10H9NO2S/c1-13-10(12)9-4-2-3-8(5-9)6-11-7-14/h2-5H,6H2,1H3
InChIKey
BTIIPQQBLULMJN-UHFFFAOYSA-N
Canonic Smiles
S=C=NCc1cccc(c1)C(=O)OC
Isomeric Smiles
c1ccc(cc1C(=O)OC)CN=C=S
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7976
LogD (pH = 7.4)
2.7976
Log P
2.7976
Molar Refractivity
57.967
Polarizability
22.299221
Polar Surface Area
38.66
Rotatable Bonds
4
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