Molecule

ID:78327

General Information
Structure
MolImage
Molecular Formula
C₁₄H₆Cl₂O₂
Molecular Mass
277.10224
Exact Mass
275.97448479
Charge
0
InChI
InChI=1S/C14H6Cl2O2/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6H
InChIKey
VBQNYYXVDQUKIU-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc2c1C(=O)c1c(C2=O)cccc1Cl
Isomeric Smiles
Clc1cccc2c1C(=O)c1c(cccc1Cl)C2=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.1267953
LogD (pH = 7.4)
4.1267953
Log P
4.1267953
Molar Refractivity
70.7606
Polarizability
27.091967
Polar Surface Area
34.14
Rotatable Bonds
0
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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