Molecule

ID:80058

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₂
Molecular Mass
164.20108
Exact Mass
164.08372962
Charge
0
InChI
InChI=1S/C10H12O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H,1H3,(H,11,12)
InChIKey
XJMGDZBZBKBSLJ-UHFFFAOYSA-N
Canonic Smiles
C/C=C/C=C/C=C/C=C/C(=O)O
Isomeric Smiles
OC(=O)/C=C/C=C/C=C/C=C/C
Calculated Properties
JChem
Acid pKa
4.813522
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7340859
LogD (pH = 7.4)
-0.03947661
Log P
2.5012293
Molar Refractivity
53.9207
Polarizability
18.694473
Polar Surface Area
37.3
Rotatable Bonds
4
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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