Molecule

ID:9387

General Information
Structure
MolImage
Molecular Formula
C₈H₂F₁₂O₄
Molecular Mass
390.0799184
Exact Mass
389.97614718
Charge
0
InChI
InChI=1S/C8H2F12O4/c9-3(10,1(21)22)5(13,14)7(17,18)8(19,20)6(15,16)4(11,12)2(23)24/h(H,21,22)(H,23,24)
InChIKey
QYCPVKMFWNBDPV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
OC(=O)C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
-1.5450073
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.1182327
LogD (pH = 7.4)
-3.118823
Log P
3.9401047
Molar Refractivity
42.4466
Polarizability
17.186668
Polar Surface Area
74.6
Rotatable Bonds
7
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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