Molecule

ID:65136

General Information
Structure
Molecular Formula
C₄H₁₀ClNOS
Molecular Mass
155.6463
Exact Mass
155.01716263
Charge
0
InChI
InChI=1S/C4H9NOS.ClH/c6-7-3-1-5-2-4-7;/h5H,1-4H2;1H
InChIKey
CNAHTBMMJSMMEC-UHFFFAOYSA-N
Canonic Smiles
O=S1CCNCC1.Cl
Isomeric Smiles
C1CNCCS1=O.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.71564
LogD (pH = 7.4)
-2.053471
Log P
-1.6394156
Molar Refractivity
31.646
Polarizability
12.519213
Polar Surface Area
29.1
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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