Molecule

ID:44693

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O
Molecular Mass
172.18332
Exact Mass
172.06366289
Charge
0
InChI
InChI=1S/C10H8N2O/c13-8-9-4-1-2-5-10(9)12-7-3-6-11-12/h1-8H
InChIKey
KIGZYDJKBTYFBZ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1n1cccn1
Isomeric Smiles
n1(nccc1)c1c(C=O)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7715104
LogD (pH = 7.4)
1.7715659
Log P
1.7715666
Molar Refractivity
51.0037
Polarizability
19.307901
Polar Surface Area
34.89
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
No Data Available
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Molecule Details
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References
Bioactivity
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