Molecule

ID:50147

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClO₂
Molecular Mass
198.64614
Exact Mass
198.04475727
Charge
0
InChI
InChI=1S/C10H11ClO2/c1-3-7-4-8(6-12)10(13-2)9(11)5-7/h4-6H,3H2,1-2H3
InChIKey
RBBOLYJQVGNAJA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(CC)cc(c1OC)Cl
Isomeric Smiles
c1(c(c(cc(c1)CC)Cl)OC)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0901117
LogD (pH = 7.4)
3.0901117
Log P
3.0901117
Molar Refractivity
53.5522
Polarizability
20.24691
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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