Molecule

ID:76274

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClNOS
Molecular Mass
259.79542
Exact Mass
259.07976288
Charge
0
InChI
InChI=1S/C12H17NOS.ClH/c1-14-11-4-2-3-5-12(11)15-10-6-8-13-9-7-10;/h2-5,10,13H,6-9H2,1H3;1H
InChIKey
HWAXRSUVCDEALS-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1SC1CCNCC1.Cl
Isomeric Smiles
S(c1ccccc1OC)C1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3371948
LogD (pH = 7.4)
-0.6090612
Log P
1.8799939
Molar Refractivity
65.5349
Polarizability
25.911005
Polar Surface Area
21.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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