Molecule

ID:83495

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₃
Molecular Mass
178.1846
Exact Mass
178.06299418
Charge
0
InChI
InChI=1S/C10H10O3/c11-9-7-5-1-2-6(4-3-5)8(7)10(12)13-9/h1-2,5-8H,3-4H2
InChIKey
YIHKILSPWGDWPR-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=O)C2C1C1CCC2C=C1
Isomeric Smiles
O1C(=O)C2C(C1=O)C1C=CC2CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.99546367
LogD (pH = 7.4)
0.99546367
Log P
0.99546367
Molar Refractivity
45.292
Polarizability
17.601458
Polar Surface Area
43.37
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
References
Bioactivity
Navigation