Molecule
ID:59178
General Information
Molecular Formula
C₈H₇NOS
Molecular Mass
165.21228
Exact Mass
165.02483485
Charge
0
InChI
InChI=1S/C8H7NOS/c1-5-3-2-4-6-7(5)9-8(11)10-6/h2-4H,1H3,(H,9,11)
InChIKey
RWYDISZVUDDJOI-UHFFFAOYSA-N
Canonic Smiles
Sc1oc2c(n1)c(C)ccc2
Isomeric Smiles
n1c(oc2c1c(ccc2)C)S
Calculated Properties
JChem
Acid pKa
7.3786073
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.605253
LogD (pH = 7.4)
2.3156557
Log P
2.610744
Molar Refractivity
45.2474
Polarizability
18.67409
Polar Surface Area
26.03
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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...