Molecule

ID:35304

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆N₂O₃
Molecular Mass
296.32054
Exact Mass
296.11609238
Charge
0
InChI
InChI=1S/C17H16N2O3/c1-11-4-7-16-18-17(13(10-20)19(16)9-11)12-5-6-14(21-2)15(8-12)22-3/h4-10H,1-3H3
InChIKey
IFFIYUJDNXUGFW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(nc2n1cc(C)cc2)c1ccc(c(c1)OC)OC
Isomeric Smiles
n12c(c(nc1ccc(c2)C)c1cc(c(cc1)OC)OC)C=O
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.5902083
LogD (pH = 7.4)
2.622775
Log P
2.6232073
Molar Refractivity
85.1297
Polarizability
32.939392
Polar Surface Area
52.83
Rotatable Bonds
4
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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