Molecule

ID:64918

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO₄
Molecular Mass
289.32636
Exact Mass
289.13140809
Charge
0
InChI
InChI=1S/C16H19NO4/c1-16(2,3)21-15(19)17-9-11-7-5-6-8-12(11)13(10-17)14(18)20-4/h5-8,10H,9H2,1-4H3
InChIKey
CXANTJFZKVKKKM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1=CN(Cc2c1cccc2)C(=O)OC(C)(C)C
Isomeric Smiles
c1ccc2c(c1)C(=CN(C2)C(=O)OC(C)(C)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.81967
LogD (pH = 7.4)
2.81967
Log P
2.81967
Molar Refractivity
78.4721
Polarizability
30.51024
Polar Surface Area
55.84
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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