Molecule

ID:76840

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆O
Molecular Mass
152.23344
Exact Mass
152.12011513
Charge
0
InChI
InChI=1S/C10H16O/c1-5-10(4)8-6-7-9(2,3)11-10/h1H,6-8H2,2-4H3
InChIKey
XSDYMDMXNRPZHU-UHFFFAOYSA-N
Canonic Smiles
C#CC1(C)CCCC(O1)(C)C
Isomeric Smiles
O1C(C#C)(CCCC1(C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.240494
LogD (pH = 7.4)
2.240494
Log P
2.240494
Molar Refractivity
46.1001
Polarizability
18.01811
Polar Surface Area
9.23
Rotatable Bonds
0
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
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References
Bioactivity
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