Molecule

ID:27259

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₄O
Molecular Mass
264.28198
Exact Mass
264.10111102
Charge
0
InChI
InChI=1S/C15H12N4O/c16-19-15(20)12-8-14(10-4-3-7-17-9-10)18-13-6-2-1-5-11(12)13/h1-9H,16H2,(H,19,20)
InChIKey
ZENFAFLFPWVDNO-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cc(nc2c1cccc2)c1cccnc1
Isomeric Smiles
c1(cc(nc2c1cccc2)c1cnccc1)C(=O)NN
Calculated Properties
JChem
Acid pKa
14.707432
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.4763987
LogD (pH = 7.4)
1.5001554
Log P
1.5004684
Molar Refractivity
76.1491
Polarizability
31.320608
Polar Surface Area
80.9
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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