Molecule

ID:35894

General Information
Structure
MolImage
Molecular Formula
C₉H₉NO
Molecular Mass
147.17386
Exact Mass
147.06841391
Charge
0
InChI
InChI=1S/C9H9NO/c1-7-3-4-9(10-6-11)8(2)5-7/h3-5H,1-2H3
InChIKey
QUOBVYPFBJUOAJ-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1ccc(cc1C)C
Isomeric Smiles
C(=Nc1c(cc(cc1)C)C)=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9096441
LogD (pH = 7.4)
2.9096441
Log P
2.9096441
Molar Refractivity
45.2124
Polarizability
16.161352
Polar Surface Area
29.43
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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