Molecule

ID:3677

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₂
Molecular Mass
178.22766
Exact Mass
178.09937969
Charge
0
InChI
InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)
InChIKey
BYHDDXPKOZIZRV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCc1ccccc1
Isomeric Smiles
c1(ccccc1)CCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
0.52
LogD (pH = 5.5)
2.28
Log P
2.94
Rotatable Bonds
5
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.94
Polar Surface Area
37.30
Polarizability
20.10
Molar Refractivity
51.17
LOG S
-2.40
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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