Molecule

ID:62576

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁FN₂O₂
Molecular Mass
280.3378432
Exact Mass
280.15870614
Charge
0
InChI
InChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)18-9-8-17-13(10-18)11-6-4-5-7-12(11)16/h4-7,13,17H,8-10H2,1-3H3
InChIKey
UKJBVZKYQVUUHE-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCNC(C1)c1ccccc1F)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CC(c2c(F)cccc2)NCC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4993095
LogD (pH = 7.4)
2.4365041
Log P
2.4813282
Molar Refractivity
74.9431
Polarizability
29.269312
Polar Surface Area
41.57
Rotatable Bonds
3
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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