Molecule

ID:104504

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O
Molecular Mass
134.1751
Exact Mass
134.07316494
Charge
0
InChI
InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2
InChIKey
YGCZTXZTJXYWCO-UHFFFAOYSA-N
Canonic Smiles
O=CCCc1ccccc1
Isomeric Smiles
O=CCCc1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
1.90
LogD (pH = 5.5)
1.90
Log P
1.90
Rotatable Bonds
3
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
17.73
Polar Surface Area
17.07
Polarizability
15.03
Molar Refractivity
41.04
LOG S
-1.15
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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