Molecule

ID:83356

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆O₃
Molecular Mass
232.27504
Exact Mass
232.10994437
Charge
0
InChI
InChI=1S/C14H16O3/c1-3-9-15-10-13-11-16-14(2,17-13)12-7-5-4-6-8-12/h1,4-8,13H,9-11H2,2H3
InChIKey
ODLOKNAJMFKLBB-UHFFFAOYSA-N
Canonic Smiles
C#CCOCC1COC(O1)(C)c1ccccc1
Isomeric Smiles
O1C(c2ccccc2)(OCC1COCC#C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4453375
LogD (pH = 7.4)
2.4453375
Log P
2.4453375
Molar Refractivity
64.7529
Polarizability
25.300285
Polar Surface Area
27.69
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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