Molecule

ID:113255

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClO
Molecular Mass
246.732
Exact Mass
246.08114278
Charge
0
InChI
InChI=1S/C15H15ClO/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,17H,1-2H3
InChIKey
DZFKBLCZKBTIAU-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)C(c1ccc(cc1)Cl)(C)C
Isomeric Smiles
C(c1ccc(cc1)Cl)(c1ccc(cc1)O)(C)C
Calculated Properties
JChem
Acid pKa
10.077002
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.952574
LogD (pH = 7.4)
4.951678
Log P
4.952585
Molar Refractivity
82.099
Polarizability
27.8347
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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