Molecule

ID:57918

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁N₃O₂
Molecular Mass
277.27744
Exact Mass
277.08512661
Charge
0
InChI
InChI=1S/C16H11N3O2/c20-15-12-5-1-2-6-13(12)16(21)19(15)10-11-9-17-14-7-3-4-8-18(11)14/h1-9H,10H2
InChIKey
RZBYANGUENEZSP-UHFFFAOYSA-N
Canonic Smiles
O=C1N(Cc2cnc3n2cccc3)C(=O)c2c1cccc2
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)Cc1n2c(nc1)cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.7119647
LogD (pH = 7.4)
1.3225821
Log P
1.3478769
Molar Refractivity
78.58
Polarizability
28.526857
Polar Surface Area
54.68
Rotatable Bonds
2
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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