Molecule

ID:35539

General Information
Structure
MolImage
Molecular Formula
C₈H₇NO₂
Molecular Mass
149.14668
Exact Mass
149.04767847
Charge
0
InChI
InChI=1S/C8H7NO2/c1-11-8-4-2-3-7(5-8)9-6-10/h2-5H,1H3
InChIKey
NPOVTGVGOBJZPY-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1cccc(c1)OC
Isomeric Smiles
C(=Nc1cc(OC)ccc1)=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7251302
LogD (pH = 7.4)
1.7251302
Log P
1.7251302
Molar Refractivity
41.5932
Polarizability
15.163876
Polar Surface Area
38.66
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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