Molecule

ID:85602

General Information
Structure
Molecular Formula
C₁₁H₆Cl₃NO₂
Molecular Mass
290.52984
Exact Mass
288.94641148
Charge
0
InChI
InChI=1S/C11H6Cl3NO2/c1-5-8(11(14)16)10(15-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3
InChIKey
IZQGELJKDARDMZ-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1c1noc(c1C(=O)Cl)C)Cl
Isomeric Smiles
n1c(c2c(cccc2Cl)Cl)c(c(o1)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.96943
LogD (pH = 7.4)
3.9694302
Log P
3.9694302
Molar Refractivity
68.1382
Polarizability
26.649368
Polar Surface Area
43.1
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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