Molecule
ID:66183
General Information
Molecular Formula
C₆H₄ClF₂N
Molecular Mass
163.5524664
Exact Mass
163.00003325
Charge
0
InChI
InChI=1S/C6H4ClF2N/c7-5-3-10-2-1-4(5)6(8)9/h1-3,6H
InChIKey
UZRBGKNPGFNLDR-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccncc1Cl)F
Isomeric Smiles
c1c(c(ccn1)C(F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7469908
LogD (pH = 7.4)
1.7486844
Log P
1.7487061
Molar Refractivity
33.7899
Polarizability
12.800394
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
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
No Data Available
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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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