Molecule

ID:14465

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀ClNOS
Molecular Mass
155.6463
Exact Mass
155.01716263
Charge
0
InChI
InChI=1S/C4H9NOS.ClH/c1-4(6)7-3-2-5;/h2-3,5H2,1H3;1H
InChIKey
AWSDWONPEAAYIB-UHFFFAOYSA-N
Canonic Smiles
CC(=O)SCCN.Cl
Isomeric Smiles
O=C(SCCN)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.2413392
LogD (pH = 7.4)
-1.8317256
Log P
-0.3794914
Molar Refractivity
31.8615
Polarizability
12.801876
Polar Surface Area
43.09
Rotatable Bonds
3
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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