Molecule

ID:70000

General Information
Structure
MolImage
Molecular Formula
C₅H₈O
Molecular Mass
84.11642
Exact Mass
84.05751488
Charge
0
InChI
InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2
InChIKey
GJEZBVHHZQAEDB-UHFFFAOYSA-N
Canonic Smiles
C1CC2C(C1)O2
Isomeric Smiles
C12C(CCC1)O2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.92292476
LogD (pH = 7.4)
0.92292476
Log P
0.92292476
Molar Refractivity
22.5259
Polarizability
9.175129
Polar Surface Area
12.53
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
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Bioactivity
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