Molecule

ID:20331

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆ClNO₂
Molecular Mass
217.69254
Exact Mass
217.08695644
Charge
0
InChI
InChI=1S/C10H15NO2.ClH/c1-8-7-9(11)3-4-10(8)13-6-5-12-2;/h3-4,7H,5-6,11H2,1-2H3;1H
InChIKey
LPSKYLSPRSOPPP-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccc(cc1C)N.Cl
Isomeric Smiles
c1(c(ccc(c1)N)OCCOC)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2348998
LogD (pH = 7.4)
1.4495274
Log P
1.4530945
Molar Refractivity
53.3063
Polarizability
20.124006
Polar Surface Area
44.48
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
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Molecule Details
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References
Bioactivity
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