Molecule

ID:78567

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂O
Molecular Mass
230.34528
Exact Mass
230.16706532
Charge
0
InChI
InChI=1S/C16H22O/c1-12(2)16(17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3
InChIKey
NTYVIEOSHAUDLV-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)c1ccc(cc1)C1CCCCC1)C
Isomeric Smiles
O=C(c1ccc(cc1)C1CCCCC1)C(C)C
Calculated Properties
JChem
Acid pKa
17.319563
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.889405
LogD (pH = 7.4)
4.889405
Log P
4.889405
Molar Refractivity
71.8538
Polarizability
28.021263
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
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
暂无数据
点击上传数据
References
Bioactivity
Navigation