Molecule

ID:57164

General Information
Structure
MolImage
Molecular Formula
C₉H₅Cl₂FO
Molecular Mass
219.0398032
Exact Mass
217.97014836
Charge
0
InChI
InChI=1S/C9H5Cl2FO/c10-7-2-1-3-8(12)6(7)4-5-9(11)13/h1-5H/b5-4+
InChIKey
ZSKVLMSUGHVRRT-SNAWJCMRSA-N
Canonic Smiles
ClC(=O)/C=C/c1c(F)cccc1Cl
Isomeric Smiles
C(=C\C(=O)Cl)/c1c(cccc1F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4161625
LogD (pH = 7.4)
3.4161625
Log P
3.4161625
Molar Refractivity
51.9396
Polarizability
19.27125
Polar Surface Area
17.07
Rotatable Bonds
2
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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