Molecule
ID:86273
General Information
Molecular Formula
C₁₀H₁₆O
Molecular Mass
152.23344
Exact Mass
152.12011513
Charge
0
InChI
InChI=1S/C10H16O/c1-3-4-5-9-8(2)6-7-10(9)11/h3-7H2,1-2H3
InChIKey
SHRWKGXPNYYGGO-UHFFFAOYSA-N
Canonic Smiles
CCCCC1=C(C)CCC1=O
Isomeric Smiles
O=C1C(=C(CC1)C)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.014067
LogD (pH = 7.4)
3.014067
Log P
3.014067
Molar Refractivity
47.1818
Polarizability
18.259748
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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