Molecule

ID:36502

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆Cl₂FNO₂
Molecular Mass
274.0752432
Exact Mass
272.97596202
Charge
0
InChI
InChI=1S/C11H6Cl2FNO2/c12-5-10-7(11(16)17-15-10)4-6-8(13)2-1-3-9(6)14/h1-4H,5H2/b7-4+
InChIKey
OAPIAYBPRPBRLS-QPJJXVBHSA-N
Canonic Smiles
ClCC1=NOC(=O)/C/1=C/c1c(F)cccc1Cl
Isomeric Smiles
C\1(=C\c2c(Cl)cccc2F)/C(=O)ON=C1CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.946097
LogD (pH = 7.4)
3.9460971
Log P
3.9460971
Molar Refractivity
62.7892
Polarizability
23.6903
Polar Surface Area
38.66
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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