Molecule

ID:112102

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO
Molecular Mass
135.16316
Exact Mass
135.06841391
Charge
0
InChI
InChI=1S/C8H9NO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKey
WGRPQCFFBRDZFV-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)C(=O)N
Isomeric Smiles
Cc1cccc(c1)C(=O)N
Calculated Properties
JChem
Acid pKa
14.639316
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.3373069
LogD (pH = 7.4)
1.3373076
Log P
1.3373075
Molar Refractivity
40.1776
Polarizability
14.921014
Polar Surface Area
43.09
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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