Molecule

ID:89461

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆O
Molecular Mass
140.22274
Exact Mass
140.12011513
Charge
0
InChI
InChI=1S/C9H16O/c1-2-3-8-4-6-9(10)7-5-8/h8H,2-7H2,1H3
InChIKey
NQEDLIZOPMNZMC-UHFFFAOYSA-N
Canonic Smiles
CCCC1CCC(=O)CC1
Isomeric Smiles
O=C1CCC(CC1)CCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6643507
LogD (pH = 7.4)
2.6643507
Log P
2.6643507
Molar Refractivity
41.998
Polarizability
16.652328
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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