Molecule

ID:14877

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆ClNOS
Molecular Mass
233.75814
Exact Mass
233.06411282
Charge
0
InChI
InChI=1S/C10H15NOS.ClH/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10;/h2,4,6,9,11H,1,3,5,7-8H2;1H
InChIKey
FGAINQXOLLMBAP-UHFFFAOYSA-N
Canonic Smiles
C1COC(C1)CNCc1cccs1.Cl
Isomeric Smiles
c1cc(sc1)CNCC1CCCO1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1463283
LogD (pH = 7.4)
0.36568898
Log P
1.863065
Molar Refractivity
54.4506
Polarizability
21.515068
Polar Surface Area
21.26
Rotatable Bonds
4
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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