Molecule
ID:40681
General Information
Molecular Formula
C₉H₁₀N₂O₃
Molecular Mass
194.1873
Exact Mass
194.06914219
Charge
0
InChI
InChI=1S/C9H10N2O3/c1-7(12)10(2)8-3-5-9(6-4-8)11(13)14/h3-6H,1-2H3
InChIKey
DKZFYTVXALXRSH-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N(c1ccc(cc1)[N+](=O)[O-])C
Isomeric Smiles
c1cc(ccc1N(C(=O)C)C)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0150064
LogD (pH = 7.4)
1.0150064
Log P
1.0150064
Molar Refractivity
51.3616
Polarizability
18.95692
Polar Surface Area
66.13
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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