Molecule

ID:32560

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₃
Molecular Mass
264.3202
Exact Mass
264.14739251
Charge
0
InChI
InChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)16-7-5-6-10-11(16)8-15-9-12(10)18-4/h8-9H,5-7H2,1-4H3
InChIKey
QYTKKHXFJPMETM-UHFFFAOYSA-N
Canonic Smiles
COc1cncc2c1CCCN2C(=O)OC(C)(C)C
Isomeric Smiles
c1(cncc2c1CCCN2C(=O)OC(C)(C)C)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8494759
LogD (pH = 7.4)
1.8572859
Log P
1.8573865
Molar Refractivity
71.683
Polarizability
27.854645
Polar Surface Area
51.66
Rotatable Bonds
3
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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