Molecule

ID:111428

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₀O
Molecular Mass
262.4302
Exact Mass
262.22966558
Charge
0
InChI
InChI=1S/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3
InChIKey
PFEFOYRSMXVNEL-UHFFFAOYSA-N
Canonic Smiles
Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
Isomeric Smiles
CC(C)(C)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Calculated Properties
JChem
Acid pKa
11.491852
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
6.3048487
LogD (pH = 7.4)
6.3048143
Log P
6.304849
Molar Refractivity
84.0366
Polarizability
32.84876
Polar Surface Area
20.23
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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