Molecule

ID:50317

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O
Molecular Mass
126.19616
Exact Mass
126.10446507
Charge
0
InChI
InChI=1S/C8H14O/c1-2-7-4-3-5-8(9)6-7/h7H,2-6H2,1H3
InChIKey
IEVRHAUJJJBXFH-UHFFFAOYSA-N
Canonic Smiles
CCC1CCCC(=O)C1
Isomeric Smiles
C1(=O)CC(CCC1)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.219782
LogD (pH = 7.4)
2.219782
Log P
2.219782
Molar Refractivity
37.397
Polarizability
14.80832
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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