Molecule
ID:125006
General Information
Molecular Formula
C₁₂H₁₀N₂O₃
Molecular Mass
230.2194
Exact Mass
230.06914219
Charge
0
InChI
InChI=1S/C12H10N2O3/c13-8-1-4-12(14-6-8)17-9-2-3-10-11(5-9)16-7-15-10/h1-6H,7,13H2
InChIKey
JDLMNOVMXCXJLG-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(nc1)Oc1ccc2c(c1)OCO2
Isomeric Smiles
c12cc(Oc3ncc(N)cc3)ccc1OCO2
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.6443127
LogD (pH = 7.4)
1.6446217
Log P
1.6446257
Molar Refractivity
60.9227
Polarizability
23.381626
Polar Surface Area
66.6
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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