Molecule

ID:27461

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O₂
Molecular Mass
240.25728
Exact Mass
240.08987763
Charge
0
InChI
InChI=1S/C14H12N2O2/c1-10(17)11-4-2-6-13(8-11)16-14(18)12-5-3-7-15-9-12/h2-9H,1H3,(H,16,18)
InChIKey
VLNZENGMOKSDAH-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccnc1)Nc1cccc(c1)C(=O)C
Isomeric Smiles
C(=O)(c1cnccc1)Nc1cc(C(=O)C)ccc1
Calculated Properties
JChem
Acid pKa
10.438732
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4011574
LogD (pH = 7.4)
1.4046783
Log P
1.4051057
Molar Refractivity
69.8374
Polarizability
25.771805
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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