Molecule

ID:85495

General Information
Structure
Molecular Formula
C₅H₇NS
Molecular Mass
113.18078
Exact Mass
113.02992023
Charge
0
InChI
InChI=1S/C5H7NS/c7-4-6-3-5-1-2-5/h5H,1-3H2
InChIKey
YRJONJBJAYHHQB-UHFFFAOYSA-N
Canonic Smiles
S=C=NCC1CC1
Isomeric Smiles
N(=C=S)CC1CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8502274
LogD (pH = 7.4)
1.8502274
Log P
1.8502274
Molar Refractivity
33.2711
Polarizability
13.095494
Polar Surface Area
12.36
Rotatable Bonds
2
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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