Molecule

ID:89765

General Information
Structure
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Molecular Formula
C₅H₁₀O
Molecular Mass
86.1323
Exact Mass
86.07316494
Charge
0
InChI
InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3
InChIKey
SYBYTAAJFKOIEJ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)C(C)C
Isomeric Smiles
O=C(C)C(C)C
Calculated Properties
JChem
Acid pKa
19.550432
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3498019
LogD (pH = 7.4)
1.3498019
Log P
1.3498019
Molar Refractivity
25.3962
Polarizability
10.010134
Polar Surface Area
17.07
Rotatable Bonds
1
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
No Data Available
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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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