Molecule
ID:78498
General Information
Molecular Formula
C₅H₉NS
Molecular Mass
115.19666
Exact Mass
115.04557029
Charge
0
InChI
InChI=1S/C5H9NS/c1-3-5(2)7-4-6/h5H,3H2,1-2H3
InChIKey
HMDYBNCYTSFZEL-UHFFFAOYSA-N
Canonic Smiles
CC(SC#N)CC
Isomeric Smiles
S(C(C)CC)C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9811115
LogD (pH = 7.4)
1.9811115
Log P
1.9811115
Molar Refractivity
33.788
Polarizability
12.885535
Polar Surface Area
23.79
Rotatable Bonds
2
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
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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