Molecule

ID:80717

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₃
Molecular Mass
258.27256
Exact Mass
258.10044232
Charge
0
InChI
InChI=1S/C14H14N2O3/c1-3-18-14(17)11-5-7-12(8-6-11)19-13-9-4-10(2)15-16-13/h4-9H,3H2,1-2H3
InChIKey
UTABMMGPJGJCCH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)Oc1ccc(nn1)C
Isomeric Smiles
n1nc(ccc1Oc1ccc(cc1)C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3621085
LogD (pH = 7.4)
2.362202
Log P
2.3622031
Molar Refractivity
71.6841
Polarizability
26.910961
Polar Surface Area
61.31
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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