Molecule

ID:136902

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO
Molecular Mass
136.1565689
Exact Mass
136.06544881
Charge
0
InChI
InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)/i9+1
InChIKey
FZERHIULMFGESH-QBZHADDCSA-N
Canonic Smiles
CC(=O)[15NH]c1ccccc1
Isomeric Smiles
CC(=O)[15NH]c1ccccc1
Calculated Properties
JChem
Acid pKa
14.3760395
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.2109562
LogD (pH = 7.4)
1.2109561
Log P
1.2109562
Molar Refractivity
40.921
Polarizability
15.206652
Polar Surface Area
29.1
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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