Molecule

ID:90494

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₃
Molecular Mass
206.198
Exact Mass
206.06914219
Charge
0
InChI
InChI=1S/C10H10N2O3/c1-2-3-10-11-8-6-7(12(13)14)4-5-9(8)15-10/h4-6H,2-3H2,1H3
InChIKey
KIBRCFXHMQVFLA-UHFFFAOYSA-N
Canonic Smiles
CCCc1nc2c(o1)ccc(c2)[N+](=O)[O-]
Isomeric Smiles
o1c(nc2cc(ccc12)[N+](=O)[O-])CCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5280185
LogD (pH = 7.4)
2.528019
Log P
2.528019
Molar Refractivity
53.7164
Polarizability
21.146791
Polar Surface Area
71.85
Rotatable Bonds
3
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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