Molecule

ID:53111

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO
Molecular Mass
223.26982
Exact Mass
223.09971404
Charge
0
InChI
InChI=1S/C15H13NO/c17-10-14-9-13(11-4-2-1-3-5-11)8-12-6-7-16-15(12)14/h1-9,16-17H,10H2
InChIKey
QHCOQKSIQMJVDM-UHFFFAOYSA-N
Canonic Smiles
OCc1cc(cc2c1[nH]cc2)c1ccccc1
Isomeric Smiles
c1cc2c(c(cc(c2)c2ccccc2)CO)[nH]1
Calculated Properties
JChem
Acid pKa
15.000631
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
2.9518833
LogD (pH = 7.4)
2.9518833
Log P
2.9518833
Molar Refractivity
69.0966
Polarizability
29.134668
Polar Surface Area
36.02
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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