Molecule

ID:8411

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClO₂
Molecular Mass
186.63544
Exact Mass
186.04475727
Charge
0
InChI
InChI=1S/C9H11ClO2/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5H,6H2,1-2H3
InChIKey
NJBICLSFUUJIDH-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)CCl)OC
Isomeric Smiles
c1(cc(c(cc1)OC)CCl)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2451453
LogD (pH = 7.4)
2.2451453
Log P
2.2451453
Molar Refractivity
48.8513
Polarizability
19.032305
Polar Surface Area
18.46
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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