Molecule

ID:59765

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆O₄
Molecular Mass
248.27444
Exact Mass
248.10485899
Charge
0
InChI
InChI=1S/C14H16O4/c15-10-5-4-9-11(16)8-14(6-2-1-3-7-14)18-13(9)12(10)17/h4-5,15,17H,1-3,6-8H2
InChIKey
VXZPJQXETDFJCN-UHFFFAOYSA-N
Canonic Smiles
O=C1CC2(CCCCC2)Oc2c1ccc(c2O)O
Isomeric Smiles
c12c(C(=O)CC3(O2)CCCCC3)ccc(c1O)O
Calculated Properties
JChem
Acid pKa
8.012139
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.4261491
LogD (pH = 7.4)
2.333365
Log P
2.4274724
Molar Refractivity
65.9299
Polarizability
25.568783
Polar Surface Area
66.76
Rotatable Bonds
0
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