Molecule

ID:19632

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉Cl₂F₂NO
Molecular Mass
292.1087664
Exact Mass
291.00292571
Charge
0
InChI
InChI=1S/C12H8ClF2NO.ClH/c13-8-2-1-3-10(16)12(8)17-11-5-4-7(14)6-9(11)15;/h1-6H,16H2;1H
InChIKey
CTPGMSJENFIWFR-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)Oc1c(N)cccc1Cl.Cl
Isomeric Smiles
c1(Oc2ccc(cc2F)F)c(N)cccc1Cl.Cl
Calculated Properties
JChem
Acid pKa
19.905045
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.5339048
LogD (pH = 7.4)
3.5340538
Log P
3.5340557
Molar Refractivity
62.2368
Polarizability
23.118591
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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