Molecule

ID:27467

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O₂
Molecular Mass
240.25728
Exact Mass
240.08987763
Charge
0
InChI
InChI=1S/C14H12N2O2/c1-10(17)12-3-2-4-13(9-12)16-14(18)11-5-7-15-8-6-11/h2-9H,1H3,(H,16,18)
InChIKey
KRJADIRBSSTLHL-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccncc1)Nc1cccc(c1)C(=O)C
Isomeric Smiles
C(=O)(Nc1cc(C(=O)C)ccc1)c1ccncc1
Calculated Properties
JChem
Acid pKa
10.670197
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4048656
LogD (pH = 7.4)
1.4048812
Log P
1.4051057
Molar Refractivity
69.8374
Polarizability
25.771784
Polar Surface Area
59.06
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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