Molecule
ID:25623
General Information
Molecular Formula
C₁₇H₁₄N₂O₂
Molecular Mass
278.30526
Exact Mass
278.1055277
Charge
0
InChI
InChI=1S/C17H14N2O2/c1-10-3-4-13-14(17(20)21)9-15(19-16(13)11(10)2)12-5-7-18-8-6-12/h3-9H,1-2H3,(H,20,21)
InChIKey
GNDKYYUFMPDBSD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(nc2c1ccc(c2C)C)c1ccncc1
Isomeric Smiles
c12nc(cc(c1ccc(c2C)C)C(=O)O)c1ccncc1
Calculated Properties
JChem
Acid pKa
3.4351974
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.8089206
LogD (pH = 7.4)
0.32503244
Log P
2.779582
Molar Refractivity
79.9252
Polarizability
32.90675
Polar Surface Area
63.08
Rotatable Bonds
2
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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