Molecule

ID:74311

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂O₂
Molecular Mass
140.17968
Exact Mass
140.08372962
Charge
0
InChI
InChI=1S/C8H12O2/c1-10-8(9)7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3
InChIKey
IPUNVLFESXFVFH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CCC=CC1
Isomeric Smiles
O=C(C1CC=CCC1)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6741289
LogD (pH = 7.4)
1.6741289
Log P
1.6741289
Molar Refractivity
39.7316
Polarizability
15.260673
Polar Surface Area
26.3
Rotatable Bonds
2
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