Molecule

ID:89458

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O
Molecular Mass
154.24932
Exact Mass
154.1357652
Charge
0
InChI
InChI=1S/C10H18O/c1-10(2,3)8-6-4-5-7-9(8)11/h8H,4-7H2,1-3H3
InChIKey
ZRYDPLOWJSFQAE-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCCC1C(C)(C)C
Isomeric Smiles
O=C1C(C(C)(C)C)CCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0628154
LogD (pH = 7.4)
3.0628154
Log P
3.0628154
Molar Refractivity
46.4466
Polarizability
18.4969
Polar Surface Area
17.07
Rotatable Bonds
1
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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