Molecule

ID:66445

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉NO
Molecular Mass
183.20596
Exact Mass
183.06841391
Charge
0
InChI
InChI=1S/C12H9NO/c14-9-10-2-1-3-12(8-10)11-4-6-13-7-5-11/h1-9H
InChIKey
ANVUAAJNQXEBNM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)c1ccncc1
Isomeric Smiles
C(=O)c1cc(ccc1)c1ccncc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0049887
LogD (pH = 7.4)
2.1136692
Log P
2.1153011
Molar Refractivity
55.6213
Polarizability
22.337908
Polar Surface Area
29.96
Rotatable Bonds
2
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
No Data Available
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Molecule Details
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References
Bioactivity
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