Molecule

ID:123767

General Information
Structure
Molecular Formula
C₁₄H₁₁NO₃
Molecular Mass
241.24204
Exact Mass
241.07389322
Charge
0
InChI
InChI=1S/C14H11NO3/c16-14(17)12-8-13-11(6-7-18-13)15(12)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKey
PJUQHQBKPMPLLO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc2c(n1Cc1ccccc1)cco2
Isomeric Smiles
n1(c(cc2c1cco2)C(=O)O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
3.3507583
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6327998
LogD (pH = 7.4)
-0.6474582
Log P
2.7673876
Molar Refractivity
66.1784
Polarizability
26.09543
Polar Surface Area
55.37
Rotatable Bonds
3
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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