Molecule

ID:24131

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆ClNO
Molecular Mass
237.72524
Exact Mass
237.09204182
Charge
0
InChI
InChI=1S/C13H15NO.ClH/c1-9(14)10-7-8-13(15-2)12-6-4-3-5-11(10)12;/h3-9H,14H2,1-2H3;1H
InChIKey
KJWMUSDZSKUVCI-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c2c1cccc2)C(N)C.Cl
Isomeric Smiles
c12c(c(ccc1C(C)N)OC)cccc2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.66783255
LogD (pH = 7.4)
-0.049213525
Log P
2.3473947
Molar Refractivity
61.8636
Polarizability
25.668316
Polar Surface Area
35.25
Rotatable Bonds
2
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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