Molecule

ID:45303

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆O₂
Molecular Mass
192.25424
Exact Mass
192.11502975
Charge
0
InChI
InChI=1S/C12H16O2/c1-10(2)6-7-14-12-5-3-4-11(8-12)9-13/h3-5,8-10H,6-7H2,1-2H3
InChIKey
BTNXPSPSJDQCEA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)OCCC(C)C
Isomeric Smiles
O=Cc1cc(OCCC(C)C)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.138995
LogD (pH = 7.4)
3.138995
Log P
3.138995
Molar Refractivity
57.5274
Polarizability
22.10744
Polar Surface Area
26.3
Rotatable Bonds
5
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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