Molecule

ID:73094

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO
Molecular Mass
135.16316
Exact Mass
135.06841391
Charge
0
InChI
InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)
InChIKey
FZERHIULMFGESH-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccccc1
Isomeric Smiles
CC(=O)Nc1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
1.21
LogD (pH = 5.5)
1.21
Log P
1.21
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
14.38
Polar Surface Area
29.10
Polarizability
14.52
Molar Refractivity
40.92
LOG S
-1.52
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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