Molecule

ID:900

General Information
Structure
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Molecular Formula
C₃H₄Cl₂F₂O
Molecular Mass
164.9660664
Exact Mass
163.96072655
Charge
0
InChI
InChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3
InChIKey
RFKMCNOHBTXSMU-UHFFFAOYSA-N
Canonic Smiles
COC(C(Cl)Cl)(F)F
Isomeric Smiles
ClC(Cl)C(F)(F)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3058782
LogD (pH = 7.4)
2.3058782
Log P
2.3058782
Molar Refractivity
27.975
Polarizability
10.684055
Polar Surface Area
9.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
2.01
LOG S
-1.41
Solubility (Water)
6.46e+00 g/l
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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