Molecule

ID:55865

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆ClNS
Molecular Mass
181.72664
Exact Mass
181.0691982
Charge
0
InChI
InChI=1S/C7H15NS.ClH/c1-9-6-7-3-2-4-8-5-7;/h7-8H,2-6H2,1H3;1H
InChIKey
FXYRYGYEBIUCIU-UHFFFAOYSA-N
Canonic Smiles
CSCC1CCCNC1.Cl
Isomeric Smiles
C1NCCCC1CSC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.9622285
LogD (pH = 7.4)
-1.4184643
Log P
1.2657171
Molar Refractivity
43.8165
Polarizability
17.49304
Polar Surface Area
12.03
Rotatable Bonds
2
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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