Molecule

ID:79757

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃Cl₂NO₂
Molecular Mass
310.17522
Exact Mass
309.03233402
Charge
0
InChI
InChI=1S/C15H13ClNO2.ClH/c1-19-14-6-4-12(5-7-14)15(18)8-10-17-9-2-3-13(16)11-17;/h2-11H,1H3;1H/q+1;/p-1
InChIKey
WRLVEZLHFWOXBK-UHFFFAOYSA-M
Canonic Smiles
COc1ccc(cc1)C(=O)/C=C/[n+]1cccc(c1)Cl.[Cl-]
Isomeric Smiles
[n+]1(cc(ccc1)Cl)/C=C/C(=O)c1ccc(cc1)OC.[Cl-]
Calculated Properties
JChem
Acid pKa
12.85103
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.0563698
LogD (pH = 7.4)
-1.0563701
Log P
-1.0563698
Molar Refractivity
76.1494
Polarizability
29.10012
Polar Surface Area
30.18
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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