Molecule

ID:28611

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁N₃O₂
Molecular Mass
265.26674
Exact Mass
265.08512661
Charge
0
InChI
InChI=1S/C15H11N3O2/c19-15(20)13-9-14(11-5-4-8-16-10-11)18(17-13)12-6-2-1-3-7-12/h1-10H,(H,19,20)
InChIKey
VCSZHDIAZICEDP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(n(n1)c1ccccc1)c1cccnc1
Isomeric Smiles
n1n(c(cc1C(=O)O)c1cnccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.1208115
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.4032685
LogD (pH = 7.4)
-0.9321379
Log P
1.3715235
Molar Refractivity
74.1607
Polarizability
29.801569
Polar Surface Area
68.01
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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