Molecule

ID:136704

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClO
Molecular Mass
170.63604
Exact Mass
170.04984265
Charge
0
InChI
InChI=1S/C9H11ClO/c1-2-9(11)7-5-3-4-6-8(7)10/h3-6,9,11H,2H2,1H3
InChIKey
UBOFXBQTRQSKMY-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1Cl)O
Isomeric Smiles
CCC(c1ccccc1Cl)O
Calculated Properties
JChem
Acid pKa
14.276779
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7490382
LogD (pH = 7.4)
2.749038
Log P
2.7490382
Molar Refractivity
46.6215
Polarizability
18.3317
Polar Surface Area
20.23
Rotatable Bonds
2
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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