Molecule

ID:81039

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉Cl₃O₂
Molecular Mass
315.57906
Exact Mass
313.96681257
Charge
0
InChI
InChI=1S/C14H9Cl3O2/c15-8-9-4-6-10(7-5-9)14(18)19-13-11(16)2-1-3-12(13)17/h1-7H,8H2
InChIKey
AHPPVBWFKIDECA-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(cc1)C(=O)Oc1c(Cl)cccc1Cl
Isomeric Smiles
O(c1c(cccc1Cl)Cl)C(=O)c1ccc(cc1)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.4300127
LogD (pH = 7.4)
5.4300127
Log P
5.4300127
Molar Refractivity
77.3374
Polarizability
29.981007
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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