Molecule

ID:29706

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₄O
Molecular Mass
250.2554
Exact Mass
250.08546096
Charge
0
InChI
InChI=1S/C14H10N4O/c19-13-9-12(10-1-5-15-6-2-10)17-14(18-13)11-3-7-16-8-4-11/h1-9H,(H,17,18,19)
InChIKey
DAPRHYQALZHLOU-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(nc(n1)c1ccncc1)c1ccncc1
Isomeric Smiles
c1(nc(cc(n1)c1ccncc1)O)c1ccncc1
Calculated Properties
JChem
Acid pKa
13.028245
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.3074608
LogD (pH = 7.4)
2.3213394
Log P
2.32152
Molar Refractivity
80.8782
Polarizability
28.603815
Polar Surface Area
71.79
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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