Molecule

ID:58699

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁NO₃
Molecular Mass
241.24204
Exact Mass
241.07389322
Charge
0
InChI
InChI=1S/C14H11NO3/c16-13(8-9-14(17)18)15-12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,15,16)(H,17,18)/b9-8-
InChIKey
DNIIAZFRGKFYSJ-HJWRWDBZSA-N
Canonic Smiles
O=C(Nc1cccc2c1cccc2)/C=C\C(=O)O
Isomeric Smiles
C(=C\C(=O)Nc1cccc2c1cccc2)\C(=O)O
Calculated Properties
JChem
Acid pKa
3.5643055
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.45308837
LogD (pH = 7.4)
-0.9723017
Log P
2.3828642
Molar Refractivity
69.3345
Polarizability
26.66263
Polar Surface Area
66.4
Rotatable Bonds
3
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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