Molecule

ID:83428

General Information
Structure
MolImage
Molecular Formula
C₉H₉NO
Molecular Mass
147.17386
Exact Mass
147.06841391
Charge
0
InChI
InChI=1S/C9H9NO/c11-10-9-6-5-7-3-1-2-4-8(7)9/h1-4,11H,5-6H2
InChIKey
ATEGUFMEFAGONB-UHFFFAOYSA-N
Canonic Smiles
O/N=C/1\CCc2c1cccc2
Isomeric Smiles
N(=C\1/c2ccccc2CC1)\O
Calculated Properties
JChem
Acid pKa
8.736473
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8455065
LogD (pH = 7.4)
1.8265508
Log P
1.8460358
Molar Refractivity
43.5474
Polarizability
16.45023
Polar Surface Area
32.59
Rotatable Bonds
0
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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