Molecule

ID:119123

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O
Molecular Mass
154.24932
Exact Mass
154.1357652
Charge
0
InChI
InChI=1S/C10H18O/c1-8(2)5-6-10(11)7-9(3)4/h5-6,8-9H,7H2,1-4H3/b6-5+
InChIKey
CZOUKEVZSCNCAE-AATRIKPKSA-N
Canonic Smiles
CC(/C=C/C(=O)CC(C)C)C
Isomeric Smiles
C(=C\C(C)C)/C(=O)CC(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4129193
LogD (pH = 7.4)
3.4129193
Log P
3.4129193
Molar Refractivity
49.4421
Polarizability
18.9974
Polar Surface Area
17.07
Rotatable Bonds
4
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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