Molecule

ID:19633

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈ClF₂NO
Molecular Mass
255.6478264
Exact Mass
255.026248
Charge
0
InChI
InChI=1S/C12H8ClF2NO/c13-8-2-1-3-11(16)12(8)17-7-4-5-9(14)10(15)6-7/h1-6H,16H2
InChIKey
AJMQBVCSOYZLTC-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(ccc1F)Oc1c(N)cccc1Cl
Isomeric Smiles
c1(Oc2cc(c(cc2)F)F)c(N)cccc1Cl
Calculated Properties
JChem
Acid pKa
19.962845
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.5338898
LogD (pH = 7.4)
3.5340536
Log P
3.5340557
Molar Refractivity
62.2368
Polarizability
23.116417
Polar Surface Area
35.25
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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