Molecule

ID:127600

General Information
Structure
MolImage
Molecular Formula
C₅H₇NOS
Molecular Mass
129.18018
Exact Mass
129.02483485
Charge
0
InChI
InChI=1S/C5H7NOS/c1-2-4-3-6-5(8)7-4/h2,4H,1,3H2,(H,6,8)
InChIKey
UZQVYLOFLQICCT-UHFFFAOYSA-N
Canonic Smiles
C=CC1CNC(=S)O1
Isomeric Smiles
S=C1OC(C=C)CN1
Calculated Properties
JChem
LogD (pH = 7.4)
1.30
LogD (pH = 5.5)
1.32
Log P
1.32
Rotatable Bonds
1
H Donor
1
H Acceptors
0
Lipinski's Rule of Five
true
Acid pKa
8.64
Polar Surface Area
21.26
Polarizability
13.19
Molar Refractivity
35.84
LOG S
-1.66
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
References
Bioactivity
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