Molecule

ID:59360

General Information
Structure
Molecular Formula
C₁₈H₂₂O₂
Molecular Mass
270.36608
Exact Mass
270.16197994
Charge
0
InChI
InChI=1S/C18H22O2/c1-12(19)20-17-4-2-16(3-5-17)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3
InChIKey
ARCROJYJJMBGNU-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1ccc(cc1)C12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C1C2CC3(CC1CC(C2)C3)c1ccc(cc1)OC(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9291487
LogD (pH = 7.4)
3.9291487
Log P
3.9291487
Molar Refractivity
77.8985
Polarizability
30.906137
Polar Surface Area
26.3
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