Molecule

ID:38314

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁FN₂O₃
Molecular Mass
308.3479432
Exact Mass
308.15362076
Charge
0
InChI
InChI=1S/C16H21FN2O3/c1-16(2,3)22-15(21)19-9-7-18(8-10-19)14-12(11-20)5-4-6-13(14)17/h4-6,11H,7-10H2,1-3H3
InChIKey
QJBKIZQJOQTBCO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1N1CCN(CC1)C(=O)OC(C)(C)C)F
Isomeric Smiles
C(=O)c1c(c(ccc1)F)N1CCN(CC1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6837587
LogD (pH = 7.4)
2.6837587
Log P
2.6837587
Molar Refractivity
83.0375
Polarizability
30.830202
Polar Surface Area
49.85
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
No Data Available
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Molecule Details
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References
Bioactivity
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