Molecule

ID:61352

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉NO₃
Molecular Mass
239.22616
Exact Mass
239.05824315
Charge
0
InChI
InChI=1S/C14H9NO3/c16-10-4-5-11-12(8-10)18-13(14(11)17)7-9-3-1-2-6-15-9/h1-8,16H/b13-7-
InChIKey
ZPLWADJKSRNLQP-QPEQYQDCSA-N
Canonic Smiles
Oc1ccc2c(c1)O/C(=C\c1ccccn1)/C2=O
Isomeric Smiles
C\1(=C\c2ncccc2)/C(=O)c2c(O1)cc(cc2)O
Calculated Properties
JChem
Acid pKa
7.6489077
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.90142
LogD (pH = 7.4)
1.7221036
Log P
1.9146976
Molar Refractivity
66.4232
Polarizability
24.980282
Polar Surface Area
59.42
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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