Molecule

ID:54199

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO₂
Molecular Mass
151.16256
Exact Mass
151.06332853
Charge
0
InChI
InChI=1S/C8H9NO2/c1-11-8-4-2-3-7(5-8)6-9-10/h2-6,10H,1H3/b9-6+
InChIKey
VDCBJAPSEUTPTQ-RMKNXTFCSA-N
Canonic Smiles
O/N=C/c1cccc(c1)OC
Isomeric Smiles
c1(cccc(c1)/C=N/O)OC
Calculated Properties
JChem
Acid pKa
8.14829
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5362409
LogD (pH = 7.4)
1.4665381
Log P
1.5375566
Molar Refractivity
42.9269
Polarizability
16.093456
Polar Surface Area
41.82
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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