Molecule
ID:60152
General Information
Molecular Formula
C₁₆H₁₂N₂O₂
Molecular Mass
264.27868
Exact Mass
264.08987763
Charge
0
InChI
InChI=1S/C16H12N2O2/c19-15-16(20,11-6-2-4-8-14(11)18-15)12-9-17-13-7-3-1-5-10(12)13/h1-9,17,20H,(H,18,19)
InChIKey
LLSIEQLHMGACNA-UHFFFAOYSA-N
Canonic Smiles
O=C1Nc2c(C1(O)c1c[nH]c3c1cccc3)cccc2
Isomeric Smiles
C1(=O)C(c2c(N1)cccc2)(O)c1c[nH]c2c1cccc2
Calculated Properties
JChem
Acid pKa
11.213859
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
2.1173644
LogD (pH = 7.4)
2.1172993
Log P
2.1173651
Molar Refractivity
76.7879
Polarizability
29.891891
Polar Surface Area
65.12
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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