Molecule

ID:36977

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₄
Molecular Mass
274.27196
Exact Mass
274.09535694
Charge
0
InChI
InChI=1S/C14H14N2O4/c1-19-12-5-3-10(4-6-12)14-11(9-17)7-16(15-14)8-13(18)20-2/h3-7,9H,8H2,1-2H3
InChIKey
DLBCPVPLODBNJH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cn1nc(c(c1)C=O)c1ccc(cc1)OC
Isomeric Smiles
n1(cc(c(n1)c1ccc(cc1)OC)C=O)CC(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.6128654
LogD (pH = 7.4)
1.6128896
Log P
1.61289
Molar Refractivity
83.6265
Polarizability
28.794409
Polar Surface Area
70.42
Rotatable Bonds
6
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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