Molecule

ID:118404

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O₂
Molecular Mass
240.25728
Exact Mass
240.08987763
Charge
0
InChI
InChI=1S/C14H12N2O2/c1-8-2-4-13-11(6-8)16-14(17)10-7-9(15)3-5-12(10)18-13/h2-7H,15H2,1H3,(H,16,17)
InChIKey
CDUPKIWBASICCK-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)NC(=O)c1c(O2)ccc(c1)N
Isomeric Smiles
C1(=O)c2c(Oc3c(N1)cc(cc3)C)ccc(c2)N
Calculated Properties
JChem
Acid pKa
10.296766
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.2746081
LogD (pH = 7.4)
2.2761185
Log P
2.2766674
Molar Refractivity
71.5159
Polarizability
25.842972
Polar Surface Area
64.35
Rotatable Bonds
0
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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