Molecule

ID:26186

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈Cl₂O₃
Molecular Mass
295.11752
Exact Mass
293.98504948
Charge
0
InChI
InChI=1S/C14H8Cl2O3/c15-10-4-5-12(13(16)7-10)14(18)19-11-3-1-2-9(6-11)8-17/h1-8H
InChIKey
NYEOOFCETKEGDM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)OC(=O)c1ccc(cc1Cl)Cl
Isomeric Smiles
c1(C(=O)Oc2cc(C=O)ccc2)c(cc(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.555273
LogD (pH = 7.4)
4.555273
Log P
4.555273
Molar Refractivity
74.0545
Polarizability
28.193863
Polar Surface Area
43.37
Rotatable Bonds
4
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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