Molecule

ID:86178

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅ClO₃
Molecular Mass
302.7522
Exact Mass
302.07097202
Charge
0
InChI
InChI=1S/C17H15ClO3/c1-20-14-7-3-12(4-8-14)16(11-19)17(18)13-5-9-15(21-2)10-6-13/h3-11H,1-2H3
InChIKey
VNRALGZMXHFBPG-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)/C(=C(\c1ccc(cc1)OC)/Cl)/C=O
Isomeric Smiles
Cl/C(=C(/c1ccc(cc1)OC)\C=O)/c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.4842784
LogD (pH = 7.4)
3.4842784
Log P
3.4842784
Molar Refractivity
84.2292
Polarizability
32.270798
Polar Surface Area
35.53
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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