Molecule

ID:25890

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆O₃
Molecular Mass
208.25364
Exact Mass
208.10994437
Charge
0
InChI
InChI=1S/C12H16O3/c1-3-4-7-15-11-6-5-10(9-13)8-12(11)14-2/h5-6,8-9H,3-4,7H2,1-2H3
InChIKey
VDQRSBASPLRAOM-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1OC)C=O
Isomeric Smiles
c1(c(ccc(c1)C=O)OCCCC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6943047
LogD (pH = 7.4)
2.6943047
Log P
2.6943047
Molar Refractivity
59.442
Polarizability
22.781742
Polar Surface Area
35.53
Rotatable Bonds
6
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