Molecule

ID:111453

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁Cl₃O
Molecular Mass
253.55274
Exact Mass
251.98754801
Charge
0
InChI
InChI=1S/C10H11Cl3O/c11-8-5-6-3-1-2-4-7(6)9(12)10(8,13)14/h1-2,4,6,8-9,14H,3,5H2
InChIKey
VLOUFNGDGZAELM-UHFFFAOYSA-N
Canonic Smiles
ClC1CC2CC=CC=C2C(C1(O)Cl)Cl
Isomeric Smiles
OC1(Cl)C(Cl)CC2CC=CC=C2C1Cl
Calculated Properties
JChem
Acid pKa
10.777655
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2319975
LogD (pH = 7.4)
3.2318182
Log P
3.2319999
Molar Refractivity
61.415
Polarizability
23.40767
Polar Surface Area
20.23
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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