Molecule

ID:76272

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClNOS
Molecular Mass
259.79542
Exact Mass
259.07976288
Charge
0
InChI
InChI=1S/C12H17NOS.ClH/c1-14-10-2-4-11(5-3-10)15-12-6-8-13-9-7-12;/h2-5,12-13H,6-9H2,1H3;1H
InChIKey
MVVLRAGCWPJXJX-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)SC1CCNCC1.Cl
Isomeric Smiles
N1CCC(Sc2ccc(cc2)OC)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3379139
LogD (pH = 7.4)
-0.6198092
Log P
1.8799939
Molar Refractivity
65.5349
Polarizability
25.903288
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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