Molecule

ID:87118

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆O
Molecular Mass
152.23344
Exact Mass
152.12011513
Charge
0
InChI
InChI=1S/C10H16O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-9H,1-7H2
InChIKey
LGVJRKCQQHOWAU-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC2C(C1)CCCC2
Isomeric Smiles
O=C1CC2C(CC1)CCCC2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.487644
LogD (pH = 7.4)
2.487644
Log P
2.487644
Molar Refractivity
44.7444
Polarizability
17.763361
Polar Surface Area
17.07
Rotatable Bonds
0
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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