Molecule

ID:80754

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₂
Molecular Mass
188.18272
Exact Mass
188.05857751
Charge
0
InChI
InChI=1S/C10H8N2O2/c13-10(14)9-6-7-11-12(9)8-4-2-1-3-5-8/h1-7H,(H,13,14)
InChIKey
FLYDUXCFCARXHI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccnn1c1ccccc1
Isomeric Smiles
n1(c2ccccc2)c(ccn1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.444209
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.4101509
LogD (pH = 7.4)
-1.7550995
Log P
1.6366483
Molar Refractivity
51.5534
Polarizability
19.7383
Polar Surface Area
55.12
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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