Molecule

ID:61253

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₂
Molecular Mass
187.19466
Exact Mass
187.06332853
Charge
0
InChI
InChI=1S/C11H9NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-7H,1H3
InChIKey
KCFXNGDHQPMIAQ-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1c1ccc(cc1)C
Isomeric Smiles
N1(C(=O)C=CC1=O)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.759152
LogD (pH = 7.4)
1.759153
Log P
1.759153
Molar Refractivity
53.0669
Polarizability
19.751724
Polar Surface Area
37.38
Rotatable Bonds
1
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
References
Bioactivity
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