Molecule

ID:119565

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀O
Molecular Mass
192.2973
Exact Mass
192.15141526
Charge
0
InChI
InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3/b7-5+
InChIKey
BGTBFNDXYDYBEY-FNORWQNLSA-N
Canonic Smiles
C/C=C/C(=O)C1=C(C)CCCC1(C)C
Isomeric Smiles
C1(=C(CCCC1(C)C)C)C(=O)/C=C/C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.043525
LogD (pH = 7.4)
4.043525
Log P
4.043525
Molar Refractivity
61.8998
Polarizability
23.56227
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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