Molecule

ID:71425

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄O₅
Molecular Mass
308.36946
Exact Mass
308.16237387
Charge
0
InChI
InChI=1S/C17H24O5/c1-12(2)14(17(18)19)10-13-6-7-15(21-4)16(11-13)22-9-5-8-20-3/h6-7,10-12H,5,8-9H2,1-4H3,(H,18,19)/b14-10+
InChIKey
VPJJDEYLAURBLW-GXDHUFHOSA-N
Canonic Smiles
COCCCOc1cc(ccc1OC)/C=C(/C(=O)O)\C(C)C
Isomeric Smiles
C(=C\c1cc(c(cc1)OC)OCCCOC)(/C(=O)O)\C(C)C
Calculated Properties
JChem
Acid pKa
4.026761
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.47706
LogD (pH = 7.4)
-0.18265343
Log P
2.9608662
Molar Refractivity
85.4019
Polarizability
32.981426
Polar Surface Area
64.99
Rotatable Bonds
9
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