Molecule

ID:30447

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀ClNOS
Molecular Mass
249.8006
Exact Mass
249.09541295
Charge
0
InChI
InChI=1S/C11H19NOS.ClH/c1-3-13-8-4-7-12-9-11-6-5-10(2)14-11;/h5-6,12H,3-4,7-9H2,1-2H3;1H
InChIKey
FXSMETHAPWTNSK-UHFFFAOYSA-N
Canonic Smiles
CCOCCCNCc1ccc(s1)C.Cl
Isomeric Smiles
s1c(ccc1C)CNCCCOCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6982584
LogD (pH = 7.4)
0.46631142
Log P
2.460129
Molar Refractivity
61.9097
Polarizability
24.00317
Polar Surface Area
21.26
Rotatable Bonds
7
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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