Molecule

ID:76738

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆O₃
Molecular Mass
196.24294
Exact Mass
196.10994437
Charge
0
InChI
InChI=1S/C11H16O3/c1-8(2)6-5-7-11(4)9(3)13-10(12)14-11/h6H,3,5,7H2,1-2,4H3
InChIKey
SEUNOWVNFRLGOA-UHFFFAOYSA-N
Canonic Smiles
CC(=CCCC1(C)OC(=O)OC1=C)C
Isomeric Smiles
O1C(=C)C(OC1=O)(CCC=C(C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.02534
LogD (pH = 7.4)
3.02534
Log P
3.02534
Molar Refractivity
54.6127
Polarizability
21.238798
Polar Surface Area
35.53
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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