Molecule

ID:94624

General Information
Structure
MolImage
Molecular Formula
C₆CrF₉O₆
Molecular Mass
391.0423288
Exact Mass
390.8956242
Charge
0
InChI
InChI=1S/3C2HF3O2.Cr/c3*3-2(4,5)1(6)7;/h3*(H,6,7);/q;;;+3/p-3
InChIKey
WMQWGIITGJKGNO-UHFFFAOYSA-K
Canonic Smiles
[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[Cr+3]
Isomeric Smiles
[O-]C(=O)C(F)(F)F.[Cr+3].[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
0.9503416
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.5809014
LogD (pH = 7.4)
-2.6199632
Log P
0.90898293
Molar Refractivity
24.491
Polarizability
5.106112
Polar Surface Area
40.13
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
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Molecule Details
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References
Bioactivity
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