Molecule

ID:132023

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆O₂
Molecular Mass
228.28634
Exact Mass
228.11502975
Charge
0
InChI
InChI=1S/C15H16O2/c1-2-3-11-15(16)17-14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,2-3,11H2,1H3
InChIKey
GRGNAHUPACBFOF-UHFFFAOYSA-N
Canonic Smiles
CCCCC(=O)Oc1cccc2c1cccc2
Isomeric Smiles
CCCCC(=O)Oc1cccc2c1cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1596565
LogD (pH = 7.4)
4.1596565
Log P
4.1596565
Molar Refractivity
67.4695
Polarizability
27.84556
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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