Molecule

ID:73648

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O₂
Molecular Mass
214.22
Exact Mass
214.07422757
Charge
0
InChI
InChI=1S/C12H10N2O2/c15-12(16)9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H,(H,13,14)(H,15,16)
InChIKey
OMGPNSFUSJHLFT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(nc1)Nc1ccccc1
Isomeric Smiles
n1cc(ccc1Nc1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
1.9682178
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.7421727
LogD (pH = 7.4)
-0.70598304
Log P
1.1107321
Molar Refractivity
59.957
Polarizability
22.488638
Polar Surface Area
62.22
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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