Molecule

ID:15454

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆O₂
Molecular Mass
216.27564
Exact Mass
216.11502975
Charge
0
InChI
InChI=1S/C14H16O2/c15-8-13-6-11-2-1-3-12(11)7-14(13)16-9-10-4-5-10/h6-8,10H,1-5,9H2
InChIKey
GTWSPXIGPMJARK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc2CCCc2cc1OCC1CC1
Isomeric Smiles
c1(c(cc2c(c1)CCC2)OCC1CC1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3163397
LogD (pH = 7.4)
3.3163397
Log P
3.3163397
Molar Refractivity
63.9284
Polarizability
24.17461
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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