Molecule

ID:68875

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₂O₂
Molecular Mass
152.15062
Exact Mass
152.05857751
Charge
0
InChI
InChI=1S/C7H8N2O2/c1-5-2-6(8)4-7(3-5)9(10)11/h2-4H,8H2,1H3
InChIKey
DZIJEXQVMORGQX-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(N)cc(c1)[N+](=O)[O-]
Isomeric Smiles
Nc1cc(cc(c1)[N+](=O)[O-])C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5975822
LogD (pH = 7.4)
1.5977236
Log P
1.5977254
Molar Refractivity
42.1201
Polarizability
15.117931
Polar Surface Area
69.16
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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