Molecule
ID:85562
General Information
Molecular Formula
C₉H₄Cl₃NO₂
Molecular Mass
264.49256
Exact Mass
262.93076141
Charge
0
InChI
InChI=1S/C9H4Cl3NO2/c10-9(11,12)8-13-6-4-2-1-3-5(6)7(14)15-8/h1-4H
InChIKey
BPVRIUJRPIPTSD-UHFFFAOYSA-N
Canonic Smiles
O=c1oc(nc2c1cccc2)C(Cl)(Cl)Cl
Isomeric Smiles
n1c(oc(=O)c2c1cccc2)C(Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2549896
LogD (pH = 7.4)
3.2549896
Log P
3.2549896
Molar Refractivity
60.9547
Polarizability
22.302553
Polar Surface Area
38.66
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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