Molecule

ID:89477

General Information
Structure
Molecular Formula
C₈H₇NOS
Molecular Mass
165.21228
Exact Mass
165.02483485
Charge
0
InChI
InChI=1S/C8H7NOS/c1-9-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3
InChIKey
VMOIPIVQHVFUFO-UHFFFAOYSA-N
Canonic Smiles
Cn1c(=S)oc2c1cccc2
Isomeric Smiles
o1c2c(cccc2)n(c1=S)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.085562
LogD (pH = 7.4)
2.0855622
Log P
2.0855622
Molar Refractivity
47.371
Polarizability
18.544043
Polar Surface Area
12.47
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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