Molecule

ID:14768

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈ClNOS
Molecular Mass
247.78472
Exact Mass
247.07976288
Charge
0
InChI
InChI=1S/C11H17NOS.ClH/c1-9-4-5-11(14-9)8-12-7-10-3-2-6-13-10;/h4-5,10,12H,2-3,6-8H2,1H3;1H
InChIKey
SSIPJLOTDQKKCI-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(s1)CNCC1CCCO1.Cl
Isomeric Smiles
c1cc(sc1C)CNCC1CCCO1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.54355735
LogD (pH = 7.4)
0.9045943
Log P
2.508926
Molar Refractivity
59.5069
Polarizability
23.275389
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
No Data Available
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Molecule Details
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References
Bioactivity
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