Molecule

ID:56821

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClO₃
Molecular Mass
226.65624
Exact Mass
226.03967189
Charge
0
InChI
InChI=1S/C11H11ClO3/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3/b6-4+
InChIKey
HGDZRSNJGRIAKS-GQCTYLIASA-N
Canonic Smiles
COc1cc(/C=C/C(=O)Cl)ccc1OC
Isomeric Smiles
C(=O)(/C=C/c1cc(c(cc1)OC)OC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3540733
LogD (pH = 7.4)
2.3540733
Log P
2.3540733
Molar Refractivity
59.8448
Polarizability
22.67284
Polar Surface Area
35.53
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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