Molecule

ID:18667

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆ClNO
Molecular Mass
249.73594
Exact Mass
249.09204182
Charge
0
InChI
InChI=1S/C14H15NO.ClH/c1-16-13-10-6-5-9-12(13)14(15)11-7-3-2-4-8-11;/h2-10,14H,15H2,1H3;1H
InChIKey
GQEJMTFEMHYJCO-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1C(c1ccccc1)N.Cl
Isomeric Smiles
c1ccc(cc1)C(c1c(cccc1)OC)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.006575882
LogD (pH = 7.4)
1.5676645
Log P
2.725583
Molar Refractivity
65.2774
Polarizability
25.850912
Polar Surface Area
35.25
Rotatable Bonds
3
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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