Molecule

ID:100905

General Information
Structure
MolImage
Molecular Formula
C₁₄HF₂₃N₂O
Molecular Mass
650.1338136
Exact Mass
649.97216172
Charge
0
InChI
InChI=1S/C14HF23N2O/c15-5(16,9(23,24)12(29,30)31)2-1-3(6(17,18)10(25,26)13(32,33)34)39(38-2)4(40)7(19,20)8(21,22)11(27,28)14(35,36)37/h1H
InChIKey
KJWBVBZKXCMDCM-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)n1nc(cc1C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
n1c(cc(n1C(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C(C(C(F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
7.695615
LogD (pH = 7.4)
7.695615
Log P
7.695615
Molar Refractivity
74.1548
Polarizability
27.881239
Polar Surface Area
34.89
Rotatable Bonds
10
Lipinski's Rule of Five
false
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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