Molecule

ID:76460

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O₂
Molecular Mass
166.1772
Exact Mass
166.07422757
Charge
0
InChI
InChI=1S/C8H10N2O2/c1-9(2)7-3-5-8(6-4-7)10(11)12/h3-6H,1-2H3
InChIKey
QJAIOCKFIORVFU-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(cc1)[N+](=O)[O-])C
Isomeric Smiles
N(c1ccc(cc1)[N+](=O)[O-])(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0212712
LogD (pH = 7.4)
2.0212739
Log P
2.0212739
Molar Refractivity
46.8071
Polarizability
17.021782
Polar Surface Area
46.38
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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