Molecule

ID:18240

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀O₄
Molecular Mass
252.3062
Exact Mass
252.13615912
Charge
0
InChI
InChI=1S/C14H20O4/c1-4-18-13-8-9(2)11(7-10(13)3)12(15)5-6-14(16)17/h7-8,12,15H,4-6H2,1-3H3,(H,16,17)
InChIKey
UACZEDNOYSAHPF-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(C)c(cc1C)C(CCC(=O)O)O
Isomeric Smiles
c1(cc(c(cc1C)OCC)C)C(CCC(=O)O)O
Calculated Properties
JChem
Acid pKa
4.218584
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.1941866
LogD (pH = 7.4)
-0.525426
Log P
2.4952998
Molar Refractivity
69.3773
Polarizability
26.722141
Polar Surface Area
66.76
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