Molecule

ID:25646

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀N₂O₂
Molecular Mass
250.2521
Exact Mass
250.07422757
Charge
0
InChI
InChI=1S/C15H10N2O2/c18-15(19)12-9-14(10-5-7-16-8-6-10)17-13-4-2-1-3-11(12)13/h1-9H,(H,18,19)
InChIKey
IBXRRNLSWGROLA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(nc2c1cccc2)c1ccncc1
Isomeric Smiles
c1(cc(nc2c1cccc2)c1ccncc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4110312
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.7586184
LogD (pH = 7.4)
-0.71252686
Log P
1.7615913
Molar Refractivity
69.8428
Polarizability
29.377205
Polar Surface Area
63.08
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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