Molecule

ID:53636

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂O
Molecular Mass
136.19098
Exact Mass
136.088815
Charge
0
InChI
InChI=1S/C9H12O/c1-2-10-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey
AXPZDYVDTMMLNB-UHFFFAOYSA-N
Canonic Smiles
CCOCc1ccccc1
Isomeric Smiles
c1(COCC)ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2058306
LogD (pH = 7.4)
2.2058306
Log P
2.2058306
Molar Refractivity
42.3737
Polarizability
16.56222
Polar Surface Area
9.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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