Molecule

ID:134984

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄O
Molecular Mass
220.35046
Exact Mass
220.18271539
Charge
0
InChI
InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3
InChIKey
NLZUEZXRPGMBCV-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Isomeric Smiles
c1c(cc(c(c1C(C)(C)C)O)C(C)(C)C)C
Calculated Properties
JChem
Acid pKa
11.602391
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.273214
LogD (pH = 7.4)
5.273187
Log P
5.2732143
Molar Refractivity
70.4119
Polarizability
27.326046
Polar Surface Area
20.23
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation