Molecule

ID:126540

General Information
Structure
MolImage
Molecular Formula
CCl₃NO₂
Molecular Mass
164.3752
Exact Mass
162.89946129
Charge
0
InChI
InChI=1S/CCl3NO2/c2-1(3,4)5(6)7
InChIKey
LFHISGNCFUNFFM-UHFFFAOYSA-N
Canonic Smiles
ClC([N+](=O)[O-])(Cl)Cl
Isomeric Smiles
ClC(Cl)(Cl)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4710853
LogD (pH = 7.4)
2.4710853
Log P
2.4710853
Molar Refractivity
9.1947
Polarizability
10.628875
Polar Surface Area
45.82
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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