Molecule

ID:90507

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆O
Molecular Mass
140.22274
Exact Mass
140.12011513
Charge
0
InChI
InChI=1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,9H,4,6H2,1-3H3
InChIKey
YGFGZTXGYTUXBA-UHFFFAOYSA-N
Canonic Smiles
O=CC(CCC=C(C)C)C
Isomeric Smiles
O=CC(CCC=C(C)C)C
Calculated Properties
JChem
Acid pKa
18.03191
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5212743
LogD (pH = 7.4)
2.5212743
Log P
2.5212743
Molar Refractivity
44.7223
Polarizability
17.15133
Polar Surface Area
17.07
Rotatable Bonds
4
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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