Molecule

ID:9965

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO₂
Molecular Mass
151.16256
Exact Mass
151.06332853
Charge
0
InChI
InChI=1S/C8H9NO2/c10-6-9-8(11)7-4-2-1-3-5-7/h1-5,10H,6H2,(H,9,11)
InChIKey
UOUBPDZUBVJZOQ-UHFFFAOYSA-N
Canonic Smiles
OCNC(=O)c1ccccc1
Isomeric Smiles
N(C(=O)c1ccccc1)CO
Calculated Properties
JChem
Acid pKa
14.2301035
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.4675611
LogD (pH = 7.4)
0.46756104
Log P
0.4675611
Molar Refractivity
41.1349
Polarizability
15.63014
Polar Surface Area
49.33
Rotatable Bonds
2
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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