Molecule

ID:76306

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆ClNO₂
Molecular Mass
265.73534
Exact Mass
265.08695644
Charge
0
InChI
InChI=1S/C14H15NO2.ClH/c1-16-13-7-2-3-8-14(13)17-12-6-4-5-11(9-12)10-15;/h2-9H,10,15H2,1H3;1H
InChIKey
BOVRWTQOEBPMRR-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1Oc1cccc(c1)CN.Cl
Isomeric Smiles
O(c1ccccc1OC)c1cccc(c1)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.53460187
LogD (pH = 7.4)
0.4878554
Log P
2.4416301
Molar Refractivity
67.2354
Polarizability
26.553226
Polar Surface Area
44.48
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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