Molecule

ID:96891

General Information
Structure
Molecular Formula
C₄H₆ClF₃O
Molecular Mass
162.5380496
Exact Mass
162.00592715
Charge
0
InChI
InChI=1S/C4H6ClF3O/c5-1-2-9-3-4(6,7)8/h1-3H2
InChIKey
PSPSSKGNQJKXHK-UHFFFAOYSA-N
Canonic Smiles
ClCCOCC(F)(F)F
Isomeric Smiles
O(CCCl)CC(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7441355
LogD (pH = 7.4)
1.7441355
Log P
1.7441355
Molar Refractivity
27.8059
Polarizability
10.444363
Polar Surface Area
9.23
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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