Molecule

ID:115307

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O₃
Molecular Mass
256.25668
Exact Mass
256.08479225
Charge
0
InChI
InChI=1S/C14H12N2O3/c1-9-15-11-4-2-3-5-12(11)16(9)8-10-6-7-13(19-10)14(17)18/h2-7H,8H2,1H3,(H,17,18)
InChIKey
PGWJUOYOMPCBSO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(o1)Cn1c(C)nc2c1cccc2
Isomeric Smiles
n1(c(nc2c1cccc2)C)Cc1oc(C(=O)O)cc1
Calculated Properties
JChem
Acid pKa
3.1440997
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.23784041
LogD (pH = 7.4)
-0.87919754
Log P
0.30127284
Molar Refractivity
68.4431
Polarizability
26.959919
Polar Surface Area
68.26
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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