Molecule

ID:8912

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O₃
Molecular Mass
230.2194
Exact Mass
230.06914219
Charge
0
InChI
InChI=1S/C12H10N2O3/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H,13H2
InChIKey
ASAOLTVUTGZJST-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
c1(ccc(Oc2ccc(cc2)N)cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5679681
LogD (pH = 7.4)
2.584378
Log P
2.5845912
Molar Refractivity
64.3239
Polarizability
23.66066
Polar Surface Area
81.07
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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