Molecule

ID:76303

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆ClNO₂
Molecular Mass
265.73534
Exact Mass
265.08695644
Charge
0
InChI
InChI=1S/C14H15NO2.ClH/c1-16-12-5-7-13(8-6-12)17-14-4-2-3-11(9-14)10-15;/h2-9H,10,15H2,1H3;1H
InChIKey
GNMNITVEVSYONZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)Oc1cccc(c1)CN.Cl
Isomeric Smiles
O(c1cccc(c1)CN)c1ccc(cc1)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5349891
LogD (pH = 7.4)
0.4849847
Log P
2.4416301
Molar Refractivity
67.2354
Polarizability
26.55094
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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