Molecule

ID:40438

General Information
Structure
MolImage
Molecular Formula
C₇H₈Cl₃NO
Molecular Mass
228.50352
Exact Mass
226.96714692
Charge
0
InChI
InChI=1S/C7H7Cl2NO.ClH/c8-6-3-1-2-5(4-11-10)7(6)9;/h1-3H,4,10H2;1H
InChIKey
FKYFOAXXDATSHM-UHFFFAOYSA-N
Canonic Smiles
NOCc1cccc(c1Cl)Cl.Cl
Isomeric Smiles
c1(c(CON)cccc1Cl)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.558516
LogD (pH = 7.4)
2.56988
Log P
2.5700269
Molar Refractivity
46.5532
Polarizability
18.19762
Polar Surface Area
35.25
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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