Molecule

ID:41580

General Information
Structure
MolImage
Molecular Formula
C₇H₆Cl₃NO
Molecular Mass
226.48764
Exact Mass
224.95149686
Charge
0
InChI
InChI=1S/C7H6Cl3NO/c1-11-4-2-3-5(11)6(12)7(8,9)10/h2-4H,1H3
InChIKey
LWGNISUGCOYWRL-UHFFFAOYSA-N
Canonic Smiles
Cn1cccc1C(=O)C(Cl)(Cl)Cl
Isomeric Smiles
C(=O)(c1n(ccc1)C)C(Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.506843
LogD (pH = 7.4)
2.506843
Log P
2.506843
Molar Refractivity
51.5084
Polarizability
19.23901
Polar Surface Area
22.0
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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