Molecule

ID:74516

General Information
Structure
MolImage
Molecular Formula
C₅H₆S
Molecular Mass
98.16614
Exact Mass
98.01902119
Charge
0
InChI
InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3
InChIKey
QENGPZGAWFQWCZ-UHFFFAOYSA-N
Canonic Smiles
Cc1cscc1
Isomeric Smiles
s1ccc(c1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.2671092
LogD (pH = 7.4)
2.2671092
Log P
2.2671092
Molar Refractivity
28.205
Polarizability
10.731002
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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