Molecule

ID:95576

General Information
Structure
MolImage
Molecular Formula
C₉H₆Cl₃FN₂O
Molecular Mass
283.5141432
Exact Mass
281.95297408
Charge
0
InChI
InChI=1S/C9H6Cl3FN2O/c10-7(11)8(12)15-9(16)14-6-3-1-5(13)2-4-6/h1-4H,(H2,14,15,16)
InChIKey
IOCGMFGGOAKGPH-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)F)NC(=C(Cl)Cl)Cl
Isomeric Smiles
N(C(=C(Cl)Cl)Cl)C(=O)Nc1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
11.743966
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
3.3142025
LogD (pH = 7.4)
3.3141851
Log P
3.3142025
Molar Refractivity
83.6528
Polarizability
23.435661
Polar Surface Area
41.13
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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