Molecule

ID:32469

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₃
Molecular Mass
264.3202
Exact Mass
264.14739251
Charge
0
InChI
InChI=1S/C14H20N2O3/c1-6-7-10-11(8-15-9-12(10)18-5)16-13(17)19-14(2,3)4/h6,8-9H,1,7H2,2-5H3,(H,16,17)
InChIKey
UAKZRZZYGKNUBZ-UHFFFAOYSA-N
Canonic Smiles
C=CCc1c(cncc1OC)NC(=O)OC(C)(C)C
Isomeric Smiles
c1(cncc(c1CC=C)NC(=O)OC(C)(C)C)OC
Calculated Properties
JChem
Acid pKa
12.098214
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.5985348
LogD (pH = 7.4)
2.6073122
Log P
2.607434
Molar Refractivity
74.9438
Polarizability
28.331837
Polar Surface Area
60.45
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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