Molecule

ID:103895

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O
Molecular Mass
154.24932
Exact Mass
154.1357652
Charge
0
InChI
InChI=1S/C10H18O/c1-5-9(4)7-10(11)6-8(2)3/h5,8,10-11H,1,4,6-7H2,2-3H3
InChIKey
RHAXCOKCIAVHPB-UHFFFAOYSA-N
Canonic Smiles
C=CC(=C)CC(CC(C)C)O
Isomeric Smiles
CC(C)CC(O)CC(=C)C=C
Calculated Properties
JChem
Acid pKa
19.116673
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.555961
LogD (pH = 7.4)
2.5559611
Log P
2.5559611
Molar Refractivity
49.198498
Polarizability
19.314552
Polar Surface Area
20.23
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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