Molecule
ID:52372
General Information
Molecular Formula
C₇H₅Cl₃
Molecular Mass
195.4736
Exact Mass
193.9456832
Charge
0
InChI
InChI=1S/C7H5Cl3/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2
InChIKey
AIPJZPPOFWCJRC-UHFFFAOYSA-N
Canonic Smiles
ClCc1cccc(c1Cl)Cl
Isomeric Smiles
C(c1c(c(ccc1)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7685773
LogD (pH = 7.4)
3.7685773
Log P
3.7685773
Molar Refractivity
45.5345
Polarizability
17.817947
Polar Surface Area
0.0
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
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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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