Molecule

ID:7379

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂F₉NO
Molecular Mass
357.2154088
Exact Mass
357.07751799
Charge
0
InChI
InChI=1S/C12H12F9NO/c1-6-4-22(7(2)23)5-8(6)3-9(13,14)10(15,16)11(17,18)12(19,20)21/h8H,1,3-5H2,2H3
InChIKey
CFZPILZXWJKGJJ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CC(C(=C)C1)CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
N1(CC(C(=C)C1)CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.809429
LogD (pH = 7.4)
2.80943
Log P
2.80943
Molar Refractivity
60.2459
Polarizability
22.163809
Polar Surface Area
20.31
Rotatable Bonds
5
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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