Molecule

ID:59084

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₀N₂O₃
Molecular Mass
290.2729
Exact Mass
290.06914219
Charge
0
InChI
InChI=1S/C17H10N2O3/c18-10-11-4-3-5-12(8-11)22-16-9-14(17(20)21)13-6-1-2-7-15(13)19-16/h1-9H,(H,20,21)
InChIKey
OUVKVNDBPGXOIM-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc(c1)Oc1nc2ccccc2c(c1)C(=O)O
Isomeric Smiles
c1(C(=O)O)c2c(nc(c1)Oc1cc(C#N)ccc1)cccc2
Calculated Properties
JChem
Acid pKa
3.535784
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.7820302
LogD (pH = 7.4)
0.37492207
Log P
3.7393243
Molar Refractivity
79.5114
Polarizability
31.431374
Polar Surface Area
83.21
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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