Molecule

ID:53472

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆ClNO₂
Molecular Mass
217.69254
Exact Mass
217.08695644
Charge
0
InChI
InChI=1S/C10H15NO2.ClH/c1-12-9-4-3-8(5-6-11)7-10(9)13-2;/h3-4,7H,5-6,11H2,1-2H3;1H
InChIKey
WIOOTMZLCZPTDW-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccc(c(c1)OC)OC.Cl
Isomeric Smiles
c1(c(ccc(c1)CCN)OC)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9377364
LogD (pH = 7.4)
-1.2355065
Log P
1.072333
Molar Refractivity
52.2128
Polarizability
20.493984
Polar Surface Area
44.48
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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