Molecule

ID:112369

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈O
Molecular Mass
142.23862
Exact Mass
142.1357652
Charge
0
InChI
InChI=1S/C9H18O/c1-4-5-6-9(10)7-8(2)3/h8H,4-7H2,1-3H3
InChIKey
ICSKJDZASFIJQK-UHFFFAOYSA-N
Canonic Smiles
CCCCC(=O)CC(C)C
Isomeric Smiles
CCCCC(=O)CC(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1280766
LogD (pH = 7.4)
3.1280766
Log P
3.1280766
Molar Refractivity
43.8002
Polarizability
17.387396
Polar Surface Area
17.07
Rotatable Bonds
5
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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