Molecule

ID:89194

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO₂
Molecular Mass
165.18914
Exact Mass
165.0789786
Charge
0
InChI
InChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)
InChIKey
XVAIDCNLVLTVFM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)NC(=O)C
Isomeric Smiles
N(c1ccc(cc1)OC)C(=O)C
Calculated Properties
JChem
LogD (pH = 7.4)
1.05
LogD (pH = 5.5)
1.05
Log P
1.05
Rotatable Bonds
2
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
14.99
Polar Surface Area
38.33
Polarizability
17.61
Molar Refractivity
47.38
LOG S
-1.58
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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