Molecule
ID:59418
General Information
Molecular Formula
C₁₀H₁₄O
Molecular Mass
150.21756
Exact Mass
150.10446507
Charge
0
InChI
InChI=1S/C10H14O/c1-10(11,9-4-5-9)7-6-8-2-3-8/h8-9,11H,2-5H2,1H3
InChIKey
TXXXQUKLWDPHIT-UHFFFAOYSA-N
Canonic Smiles
CC(C1CC1)(C#CC1CC1)O
Isomeric Smiles
C(#CC1CC1)C(C1CC1)(O)C
Calculated Properties
JChem
Acid pKa
16.067818
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.934719
LogD (pH = 7.4)
1.934719
Log P
1.934719
Molar Refractivity
44.9401
Polarizability
17.211641
Polar Surface Area
20.23
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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