Molecule

ID:73509

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂O₂
Molecular Mass
176.21178
Exact Mass
176.08372962
Charge
0
InChI
InChI=1S/C11H12O2/c1-7-5-10-6-9(8(2)12)3-4-11(10)13-7/h3-4,6-7H,5H2,1-2H3
InChIKey
MORJCRDAGOARLY-UHFFFAOYSA-N
Canonic Smiles
CC1Oc2c(C1)cc(cc2)C(=O)C
Isomeric Smiles
O1C(Cc2c1ccc(c2)C(=O)C)C
Calculated Properties
JChem
Acid pKa
16.28139
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8296856
LogD (pH = 7.4)
1.8296856
Log P
1.8296856
Molar Refractivity
50.6524
Polarizability
19.452318
Polar Surface Area
26.3
Rotatable Bonds
1
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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