Molecule

ID:91535

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉NO₂
Molecular Mass
223.22676
Exact Mass
223.06332853
Charge
0
InChI
InChI=1S/C14H9NO2/c16-13-7-8-14(17)15(13)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H
InChIKey
ISPTVBCAVIHHEF-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1c1ccc2c(c1)cccc2
Isomeric Smiles
N1(c2ccc3c(c2)cccc3)C(=O)C=CC1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2352076
LogD (pH = 7.4)
2.2352083
Log P
2.2352083
Molar Refractivity
64.4759
Polarizability
25.508982
Polar Surface Area
37.38
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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