Molecule

ID:74643

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNS
Molecular Mass
229.76944
Exact Mass
229.0691982
Charge
0
InChI
InChI=1S/C11H15NS.ClH/c1-2-5-10(6-3-1)13-11-7-4-8-12-9-11;/h1-3,5-6,11-12H,4,7-9H2;1H
InChIKey
ZZOYNVJLEFAJHE-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)Sc1ccccc1.Cl
Isomeric Smiles
S(c1ccccc1)C1CCCNC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.758185
LogD (pH = 7.4)
0.32410023
Log P
2.4171145
Molar Refractivity
58.9279
Polarizability
23.416967
Polar Surface Area
12.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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