Molecule

ID:76646

General Information
Structure
Molecular Formula
C₁₈H₁₄N₂O₂
Molecular Mass
290.31596
Exact Mass
290.1055277
Charge
0
InChI
InChI=1S/C18H14N2O2/c21-17-14-6-1-2-7-15(14)18(22)20(17)10-9-12-11-19-16-8-4-3-5-13(12)16/h1-8,11,19H,9-10H2
InChIKey
SAQDVULJSRMFJO-UHFFFAOYSA-N
Canonic Smiles
O=C1N(CCc2c[nH]c3c2cccc3)C(=O)c2c1cccc2
Isomeric Smiles
N1(CCc2c[nH]c3c2cccc3)C(=O)c2ccccc2C1=O
Calculated Properties
JChem
Acid pKa
16.15516
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0289955
LogD (pH = 7.4)
3.0289955
Log P
3.0289955
Molar Refractivity
84.6656
Polarizability
32.61091
Polar Surface Area
53.17
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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