Molecule

ID:51282

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNOS
Molecular Mass
195.71016
Exact Mass
195.04846275
Charge
0
InChI
InChI=1S/C7H13NOS.ClH/c1-4-9-5-2-7(1)8-3-6-10-7;/h8H,1-6H2;1H
InChIKey
FJVPEMJMTREZEI-UHFFFAOYSA-N
Canonic Smiles
O1CCC2(CC1)NCCS2.Cl
Isomeric Smiles
C12(NCCS1)CCOCC2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9342855
LogD (pH = 7.4)
-0.34195217
Log P
0.99892265
Molar Refractivity
42.8212
Polarizability
17.453281
Polar Surface Area
21.26
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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