Molecule

ID:30806

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈N₂O
Molecular Mass
184.19402
Exact Mass
184.06366289
Charge
0
InChI
InChI=1S/C11H8N2O/c14-8-9-6-12-11(13-7-9)10-4-2-1-3-5-10/h1-8H
InChIKey
AUTGLFSBJLERMV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cnc(nc1)c1ccccc1
Isomeric Smiles
c1(ncc(cn1)C=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1058226
LogD (pH = 7.4)
2.1058276
Log P
2.1058276
Molar Refractivity
64.7174
Polarizability
20.72002
Polar Surface Area
42.85
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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