Molecule

ID:86384

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁Cl₃N₂O
Molecular Mass
305.58754
Exact Mass
303.99369602
Charge
0
InChI
InChI=1S/C12H11Cl3N2O/c1-12(2,6-13)11-16-10(17-18-11)9-7(14)4-3-5-8(9)15/h3-5H,6H2,1-2H3
InChIKey
OETGRTRDCXDTQT-UHFFFAOYSA-N
Canonic Smiles
ClCC(c1onc(n1)c1c(Cl)cccc1Cl)(C)C
Isomeric Smiles
n1c(C(CCl)(C)C)onc1c1c(cccc1Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.379892
LogD (pH = 7.4)
5.379892
Log P
5.379892
Molar Refractivity
84.6636
Polarizability
28.686918
Polar Surface Area
38.92
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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