Molecule

ID:8980

General Information
Structure
Molecular Formula
C₇H₂Cl₂F₃I
Molecular Mass
340.8964596
Exact Mass
339.85303808
Charge
0
InChI
InChI=1S/C7H2Cl2F3I/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2H
InChIKey
RLCCFAVBZGICHD-UHFFFAOYSA-N
Canonic Smiles
Ic1c(Cl)cc(cc1Cl)C(F)(F)F
Isomeric Smiles
c1c(c(c(cc1C(F)(F)F)Cl)I)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.988128
LogD (pH = 7.4)
4.988128
Log P
4.988128
Molar Refractivity
55.0038
Polarizability
21.120121
Polar Surface Area
0.0
Rotatable Bonds
1
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
No Data Available
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Molecule Details
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References
Bioactivity
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