Molecule

ID:6848

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆FN₃O₃
Molecular Mass
329.3256432
Exact Mass
329.11756961
Charge
0
InChI
InChI=1S/C17H16FN3O3/c1-4-23-17(22)13-9-19-16-14(10(2)20-21(16)3)15(13)24-12-7-5-11(18)6-8-12/h5-9H,4H2,1-3H3
InChIKey
FOQKYRVPJNXAAV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc2c(c1Oc1ccc(cc1)F)c(C)nn2C
Isomeric Smiles
c12c(ncc(c1Oc1ccc(cc1)F)C(=O)OCC)n(nc2C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7043107
LogD (pH = 7.4)
2.7044163
Log P
2.7044177
Molar Refractivity
96.9074
Polarizability
32.905727
Polar Surface Area
66.24
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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