Molecule

ID:60122

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁NO₃
Molecular Mass
241.24204
Exact Mass
241.07389322
Charge
0
InChI
InChI=1S/C14H11NO3/c16-12-8-4-2-6-10(12)14(18)9-5-1-3-7-11(9)15-13(14)17/h1-8,16,18H,(H,15,17)
InChIKey
YSECVRWSKRIOBZ-UHFFFAOYSA-N
Canonic Smiles
Oc1ccccc1C1(O)C(=O)Nc2c1cccc2
Isomeric Smiles
c1ccc2c(c1)NC(=O)C2(O)c1c(cccc1)O
Calculated Properties
JChem
Acid pKa
9.706518
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.715011
LogD (pH = 7.4)
1.7129123
Log P
1.7150378
Molar Refractivity
67.6823
Polarizability
25.283895
Polar Surface Area
69.56
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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