Molecule

ID:92421

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₂O₂
Molecular Mass
152.15062
Exact Mass
152.05857751
Charge
0
InChI
InChI=1S/C7H8N2O2/c1-5-3-6(2)8-4-7(5)9(10)11/h3-4H,1-2H3
InChIKey
GMAJNANLBOHCAU-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cnc(cc1C)C
Isomeric Smiles
n1cc(c(cc1C)C)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3391433
LogD (pH = 7.4)
1.3403339
Log P
1.3403491
Molar Refractivity
40.8585
Polarizability
14.860195
Polar Surface Area
58.71
Rotatable Bonds
1
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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