Molecule

ID:77772

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆O
Molecular Mass
140.22274
Exact Mass
140.12011513
Charge
0
InChI
InChI=1S/C9H16O/c1-7(2)8-3-5-9(10)6-4-8/h7-8H,3-6H2,1-2H3
InChIKey
FPKISACHVIIMRA-UHFFFAOYSA-N
Canonic Smiles
CC(C1CCC(=O)CC1)C
Isomeric Smiles
O=C1CCC(C(C)C)CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5068011
LogD (pH = 7.4)
2.5068011
Log P
2.5068011
Molar Refractivity
41.9456
Polarizability
16.652328
Polar Surface Area
17.07
Rotatable Bonds
1
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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