Molecule

ID:13780

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO
Molecular Mass
223.26982
Exact Mass
223.09971404
Charge
0
InChI
InChI=1S/C15H13NO/c1-2-4-12(5-3-1)11-17-14-7-6-13-8-9-16-15(13)10-14/h1-10,16H,11H2
InChIKey
FPMICYBCFBLGOZ-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)COc1ccc2c(c1)[nH]cc2
Isomeric Smiles
[nH]1ccc2ccc(cc12)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
16.338194
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6388097
LogD (pH = 7.4)
3.6388097
Log P
3.6388097
Molar Refractivity
68.2203
Polarizability
27.739756
Polar Surface Area
25.02
Rotatable Bonds
3
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
References
Bioactivity
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