Molecule

ID:65716

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇FN₂O₂
Molecular Mass
240.2739832
Exact Mass
240.12740601
Charge
0
InChI
InChI=1S/C12H17FN2O2/c1-8(10-6-5-9(13)7-14-10)15-11(16)17-12(2,3)4/h5-8H,1-4H3,(H,15,16)/t8-/m0/s1
InChIKey
NYGTZRSBDZWBCF-QMMMGPOBSA-N
Canonic Smiles
O=C(OC(C)(C)C)N[C@H](c1ccc(cn1)F)C
Isomeric Smiles
c1cc(cnc1[C@@H](NC(=O)OC(C)(C)C)C)F
Calculated Properties
JChem
Acid pKa
12.895295
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1663227
LogD (pH = 7.4)
2.1663754
Log P
2.1663773
Molar Refractivity
61.4356
Polarizability
23.928986
Polar Surface Area
51.22
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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