Molecule

ID:14832

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁NO₂
Molecular Mass
225.24264
Exact Mass
225.0789786
Charge
0
InChI
InChI=1S/C14H11NO2/c1-15-12-5-3-2-4-10(12)11-8-9(14(16)17)6-7-13(11)15/h2-8H,1H3,(H,16,17)
InChIKey
HKCYYHQXRCUSRQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)c1ccccc1n2C
Isomeric Smiles
n1(c2c(c3c1cccc3)cc(C(=O)O)cc2)C
Calculated Properties
JChem
Acid pKa
3.9913542
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1087657
LogD (pH = 7.4)
-0.35904145
Log P
2.9721446
Molar Refractivity
65.6251
Polarizability
27.185612
Polar Surface Area
42.23
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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