Molecule

ID:26010

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClO₂
Molecular Mass
198.64614
Exact Mass
198.04475727
Charge
0
InChI
InChI=1S/C10H11ClO2/c1-7(2)13-10-4-3-9(11)5-8(10)6-12/h3-7H,1-2H3
InChIKey
VILJSXLMSJSWNL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Cl)ccc1OC(C)C
Isomeric Smiles
c1(c(OC(C)C)ccc(c1)Cl)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9055045
LogD (pH = 7.4)
2.9055045
Log P
2.9055045
Molar Refractivity
53.0774
Polarizability
20.29678
Polar Surface Area
26.3
Rotatable Bonds
3
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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