Molecule

ID:25898

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₂
Molecular Mass
164.20108
Exact Mass
164.08372962
Charge
0
InChI
InChI=1S/C10H12O2/c1-2-6-12-10-5-3-4-9(7-10)8-11/h3-5,7-8H,2,6H2,1H3
InChIKey
GFFJBSXKNZDYOJ-UHFFFAOYSA-N
Canonic Smiles
CCCOc1cccc(c1)C=O
Isomeric Smiles
O=Cc1cc(OCCC)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4074073
LogD (pH = 7.4)
2.4074073
Log P
2.4074073
Molar Refractivity
48.3778
Polarizability
18.420507
Polar Surface Area
26.3
Rotatable Bonds
4
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