Molecule

ID:125411

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀FNO₄
Molecular Mass
321.3434032
Exact Mass
321.13763635
Charge
0
InChI
InChI=1S/C17H20FNO4/c1-19-12-7-8-13(19)15(17(21)22-2)14(9-12)23-16(20)10-3-5-11(18)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14-,15+/m0/s1
InChIKey
JRPRINGETIYVSV-LJISPDSOSA-N
Canonic Smiles
COC(=O)[C@@H]1[C@H](C[C@H]2N([C@@H]1CC2)C)OC(=O)c1ccc(cc1)F
Isomeric Smiles
CN1[C@H]2CC[C@@H]1[C@@H]([C@H](C2)OC(=O)c1ccc(cc1)F)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.69262594
LogD (pH = 7.4)
0.9649142
Log P
2.42481
Molar Refractivity
81.3768
Polarizability
31.881891
Polar Surface Area
55.84
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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