Molecule

ID:119030

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆O₂
Molecular Mass
192.25424
Exact Mass
192.11502975
Charge
0
InChI
InChI=1S/C12H16O2/c1-9(2)14-12-6-4-11(5-7-12)8-10(3)13/h4-7,9H,8H2,1-3H3
InChIKey
HBMPUJYWIFQALP-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)CC(=O)C)C
Isomeric Smiles
O=C(Cc1ccc(OC(C)C)cc1)C
Calculated Properties
JChem
Acid pKa
15.809372
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5563314
LogD (pH = 7.4)
2.5563314
Log P
2.5563314
Molar Refractivity
56.5473
Polarizability
22.124964
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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