Molecule

ID:13102

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₄O
Molecular Mass
250.2554
Exact Mass
250.08546096
Charge
0
InChI
InChI=1S/C14H10N4O/c15-9-2-4-13-12(6-9)18-14(19-13)8-1-3-10-11(5-8)17-7-16-10/h1-7H,15H2,(H,16,17)
InChIKey
ZGDMZBQVYDRREE-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)nc(o2)c1ccc2c(c1)nc[nH]2
Isomeric Smiles
c1cc2c(cc1N)nc(o2)c1ccc2c(c1)nc[nH]2
Calculated Properties
JChem
Acid pKa
11.565028
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.5518209
LogD (pH = 7.4)
1.7972599
Log P
1.8019679
Molar Refractivity
81.4356
Polarizability
29.618023
Polar Surface Area
80.73
Rotatable Bonds
1
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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