Molecule

ID:76335

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉NO₂
Molecular Mass
199.20536
Exact Mass
199.06332853
Charge
0
InChI
InChI=1S/C12H9NO2/c14-9-10-3-5-11(6-4-10)15-12-2-1-7-13-8-12/h1-9H
InChIKey
VNZCKMVWWJJZIL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)Oc1cccnc1
Isomeric Smiles
O(c1cnccc1)c1ccc(cc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9210633
LogD (pH = 7.4)
1.9677259
Log P
1.9683629
Molar Refractivity
56.7259
Polarizability
21.648354
Polar Surface Area
39.19
Rotatable Bonds
3
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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