Molecule

ID:8818

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁Cl
Molecular Mass
154.63664
Exact Mass
154.05492803
Charge
0
InChI
InChI=1S/C9H11Cl/c1-2-8-3-5-9(7-10)6-4-8/h3-6H,2,7H2,1H3
InChIKey
DUBCVXSYZVTCOC-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)CCl
Isomeric Smiles
c1c(ccc(c1)CCl)CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.518478
LogD (pH = 7.4)
3.518478
Log P
3.518478
Molar Refractivity
45.5671
Polarizability
17.590479
Polar Surface Area
0.0
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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