Molecule

ID:60965

General Information
Structure
Molecular Formula
C₁₇H₁₄N₂O₂
Molecular Mass
278.30526
Exact Mass
278.1055277
Charge
0
InChI
InChI=1S/C17H14N2O2/c20-16-15-9-11-5-1-2-6-12(11)10-19(15)17(21)13-7-3-4-8-14(13)18-16/h1-8,15H,9-10H2,(H,18,20)
InChIKey
ODNBENPJLRSBMZ-UHFFFAOYSA-N
Canonic Smiles
O=C1Nc2ccccc2C(=O)N2C1Cc1ccccc1C2
Isomeric Smiles
N12C(=O)c3c(NC(=O)C1Cc1c(C2)cccc1)cccc3
Calculated Properties
JChem
Acid pKa
12.005198
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8365953
LogD (pH = 7.4)
2.8365853
Log P
2.8365955
Molar Refractivity
80.9012
Polarizability
29.853039
Polar Surface Area
49.41
Rotatable Bonds
0
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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