Molecule

ID:41445

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁NO₂
Molecular Mass
237.25334
Exact Mass
237.0789786
Charge
0
InChI
InChI=1S/C15H11NO2/c17-14-11-8-4-5-9-12(11)16-13(15(14)18)10-6-2-1-3-7-10/h1-9,18H,(H,16,17)
InChIKey
CVNJPJCBBHOAGM-UHFFFAOYSA-N
Canonic Smiles
O=c1c(O)c([nH]c2c1cccc2)c1ccccc1
Isomeric Smiles
c1(c([nH]c2c(c1=O)cccc2)c1ccccc1)O
Calculated Properties
JChem
Acid pKa
9.556718
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.0007584
LogD (pH = 7.4)
2.997924
Log P
3.0010102
Molar Refractivity
72.6692
Polarizability
26.352068
Polar Surface Area
49.33
Rotatable Bonds
1
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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