Molecule

ID:136502

General Information
Structure
MolImage
Molecular Formula
C₂H₂Cl₃NO
Molecular Mass
163.3957889
Exact Mass
161.91723162
Charge
0
InChI
InChI=1S/C2H2Cl3NO/c3-2(4,5)1(6)7/h(H2,6,7)/i6+1
InChIKey
UPQQXPKAYZYUKO-PTQBSOBMSA-N
Canonic Smiles
[15NH2]C(=O)C(Cl)(Cl)Cl
Isomeric Smiles
C(=O)(C(Cl)(Cl)Cl)[15NH2]
Calculated Properties
JChem
Acid pKa
7.2535477
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.72876745
LogD (pH = 7.4)
0.90418273
Log P
0.7221001
Molar Refractivity
29.9805
Polarizability
11.55584
Polar Surface Area
43.09
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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