Molecule

ID:17882

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClO
Molecular Mass
184.66262
Exact Mass
184.06549272
Charge
0
InChI
InChI=1S/C10H13ClO/c1-8-5-9(2)7-10(6-8)12-4-3-11/h5-7H,3-4H2,1-2H3
InChIKey
MBKATRIQBRCTRM-UHFFFAOYSA-N
Canonic Smiles
ClCCOc1cc(C)cc(c1)C
Isomeric Smiles
c1(cc(cc(c1)C)C)OCCCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5069072
LogD (pH = 7.4)
3.5069072
Log P
3.5069072
Molar Refractivity
51.9469
Polarizability
20.030066
Polar Surface Area
9.23
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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