Molecule

ID:134725

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO
Molecular Mass
135.16316
Exact Mass
135.06841391
Charge
0
InChI
InChI=1S/C8H9NO/c1-7-2-4-8(5-3-7)9-6-10/h2-6H,1H3,(H,9,10)
InChIKey
GRVKDWHXLFEVBP-UHFFFAOYSA-N
Canonic Smiles
O=CNc1ccc(cc1)C
Isomeric Smiles
Cc1ccc(cc1)NC=O
Calculated Properties
JChem
Acid pKa
15.710367
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6756788
LogD (pH = 7.4)
1.6756788
Log P
1.6756788
Molar Refractivity
41.4717
Polarizability
15.128372
Polar Surface Area
29.1
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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