Molecule

ID:80188

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉NO₃
Molecular Mass
239.22616
Exact Mass
239.05824315
Charge
0
InChI
InChI=1S/C14H9NO3/c15-9-10-1-5-12(6-2-10)18-13-7-3-11(4-8-13)14(16)17/h1-8H,(H,16,17)
InChIKey
JBBCZYHRHADVJB-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O
Isomeric Smiles
N#Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.298763
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7615108
LogD (pH = 7.4)
0.023318226
Log P
2.9872122
Molar Refractivity
65.2766
Polarizability
24.810925
Polar Surface Area
70.32
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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