Molecule

ID:55135

General Information
Structure
MolImage
Molecular Formula
C₅H₁₄ClNS
Molecular Mass
155.68936
Exact Mass
155.05354813
Charge
0
InChI
InChI=1S/C5H13NS.ClH/c1-5(2)7-4-3-6;/h5H,3-4,6H2,1-2H3;1H
InChIKey
HYOKJISSQZYCIM-UHFFFAOYSA-N
Canonic Smiles
NCCSC(C)C.Cl
Isomeric Smiles
S(C(C)C)CCN.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.2724946
LogD (pH = 7.4)
-1.5050381
Log P
0.7327373
Molar Refractivity
36.3105
Polarizability
14.541509
Polar Surface Area
26.02
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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