Molecule

ID:37152

General Information
Structure
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Molecular Formula
C₄H₉ClS
Molecular Mass
124.63226
Exact Mass
124.01134897
Charge
0
InChI
InChI=1S/C4H9ClS/c1-2-6-4-3-5/h2-4H2,1H3
InChIKey
GBNVXYXIRHSYEG-UHFFFAOYSA-N
Canonic Smiles
ClCCSCC
Isomeric Smiles
S(CCCl)CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.8814139
LogD (pH = 7.4)
1.8814139
Log P
1.8814139
Molar Refractivity
33.236
Polarizability
12.980791
Polar Surface Area
0.0
Rotatable Bonds
3
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
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Molecule Details
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References
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Bioactivity
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