Molecule

ID:40975

General Information
Structure
Molecular Formula
C₁₈H₁₄N₂O₄
Molecular Mass
322.31476
Exact Mass
322.09535694
Charge
0
InChI
InChI=1S/C18H14N2O4/c1-23-18(22)17-15(24-14-10-6-3-7-11-14)12-16(21)20(19-17)13-8-4-2-5-9-13/h2-12H,1H3
InChIKey
BMVRSQWARJTUGW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1nn(c(=O)cc1Oc1ccccc1)c1ccccc1
Isomeric Smiles
n1c(c(cc(=O)n1c1ccccc1)Oc1ccccc1)C(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.4805865
LogD (pH = 7.4)
3.4805865
Log P
3.4805865
Molar Refractivity
87.903
Polarizability
33.367413
Polar Surface Area
68.2
Rotatable Bonds
5
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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