Molecule

ID:76278

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNS
Molecular Mass
229.76944
Exact Mass
229.0691982
Charge
0
InChI
InChI=1S/C11H15NS.ClH/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11;/h1-5,11-12H,6-9H2;1H
InChIKey
PIKSGAGHYJVJCX-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)Sc1ccccc1.Cl
Isomeric Smiles
N1CCC(Sc2ccccc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.18011
LogD (pH = 7.4)
-0.46013743
Log P
2.0376651
Molar Refractivity
59.0717
Polarizability
23.4168
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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