Molecule

ID:17063

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂O₂
Molecular Mass
176.21178
Exact Mass
176.08372962
Charge
0
InChI
InChI=1S/C11H12O2/c1-9(2)8-13-11-6-4-3-5-10(11)7-12/h3-7H,1,8H2,2H3
InChIKey
JMLPELHBEYALIG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1OCC(=C)C
Isomeric Smiles
c1(c(cccc1)C=O)OCC(=C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.502688
LogD (pH = 7.4)
2.502688
Log P
2.502688
Molar Refractivity
52.5499
Polarizability
20.026403
Polar Surface Area
26.3
Rotatable Bonds
4
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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