Molecule

ID:70097

General Information
Structure
Molecular Formula
C₈H₉NO₂
Molecular Mass
151.16256
Exact Mass
151.06332853
Charge
0
InChI
InChI=1S/C8H9NO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,9H2,1H3
InChIKey
LZXXNPOYQCLXRS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)N
Isomeric Smiles
C(=O)(c1ccc(cc1)N)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1470443
LogD (pH = 7.4)
1.1477873
Log P
1.1477969
Molar Refractivity
42.7837
Polarizability
15.890638
Polar Surface Area
52.32
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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