Molecule

ID:44335

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClF₂NO
Molecular Mass
191.5625664
Exact Mass
190.99494787
Charge
0
InChI
InChI=1S/C7H4ClF2NO/c8-7(11-12)6-4(9)2-1-3-5(6)10/h1-3,12H/b11-7-
InChIKey
QBIPVAANFKTSIG-XFFZJAGNSA-N
Canonic Smiles
O/N=C(/c1c(F)cccc1F)\Cl
Isomeric Smiles
c1(/C(=N/O)/Cl)c(F)cccc1F
Calculated Properties
JChem
Acid pKa
8.689916
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.458763
LogD (pH = 7.4)
2.4374106
Log P
2.459042
Molar Refractivity
41.4272
Polarizability
15.043943
Polar Surface Area
32.59
Rotatable Bonds
1
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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