Molecule

ID:18509

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈N₂O₃
Molecular Mass
216.19282
Exact Mass
216.05349213
Charge
0
InChI
InChI=1S/C11H8N2O3/c14-11(15)10-7-5-16-8-4-2-1-3-6(8)9(7)12-13-10/h1-4H,5H2,(H,12,13)(H,14,15)
InChIKey
LCCZBCRICIYZCV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1n[nH]c2c1COc1c2cccc1
Isomeric Smiles
c12c(n[nH]c1c1c(OC2)cccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1186543
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.8721294
LogD (pH = 7.4)
-1.9763227
Log P
1.4816456
Molar Refractivity
56.6611
Polarizability
22.211111
Polar Surface Area
75.21
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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