Molecule

ID:78521

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀O₂
Molecular Mass
126.1531
Exact Mass
126.06807956
Charge
0
InChI
InChI=1S/C7H10O2/c1-9-7(8)6-4-2-3-5-6/h4H,2-3,5H2,1H3
InChIKey
VTYCAXIAUKEGBQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1=CCCC1
Isomeric Smiles
O=C(C1=CCCC1)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.675203
LogD (pH = 7.4)
1.675203
Log P
1.675203
Molar Refractivity
34.8899
Polarizability
13.423014
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
References
Bioactivity
Navigation