Molecule

ID:53382

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇N₃O₃
Molecular Mass
311.33518
Exact Mass
311.12699142
Charge
0
InChI
InChI=1S/C17H17N3O3/c1-11(2)8-9-20-15-13(16(21)23-17(20)22)10-18-14(19-15)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKey
VARUIMFRYOJONU-UHFFFAOYSA-N
Canonic Smiles
CC(CCn1c(=O)oc(=O)c2c1nc(nc2)c1ccccc1)C
Isomeric Smiles
n1c(nc2c(c1)c(=O)oc(=O)n2CCC(C)C)c1ccccc1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.9085727
LogD (pH = 7.4)
3.9085743
Log P
3.9085743
Molar Refractivity
95.7533
Polarizability
32.924034
Polar Surface Area
72.39
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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