Molecule

ID:27249

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₇N₃O₃
Molecular Mass
323.34588
Exact Mass
323.12699142
Charge
0
InChI
InChI=1S/C18H17N3O3/c1-23-16-8-7-11(9-17(16)24-2)15-10-13(18(22)21-19)12-5-3-4-6-14(12)20-15/h3-10H,19H2,1-2H3,(H,21,22)
InChIKey
YKMWFORHWALOOV-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cc(nc2c1cccc2)c1ccc(c(c1)OC)OC
Isomeric Smiles
c1(cc(nc2c1cccc2)c1cc(c(cc1)OC)OC)C(=O)NN
Calculated Properties
JChem
Acid pKa
14.73583
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
2.4018722
LogD (pH = 7.4)
2.4027865
Log P
2.4027982
Molar Refractivity
91.2324
Polarizability
37.21432
Polar Surface Area
86.47
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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