Molecule

ID:80383

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O
Molecular Mass
148.20168
Exact Mass
148.088815
Charge
0
InChI
InChI=1S/C10H12O/c1-2-6-10-8-4-3-7-9(10,5-1)11-10/h1-4H,5-8H2
InChIKey
WYRIWLHHEZDTHB-UHFFFAOYSA-N
Canonic Smiles
C1=CCC23C(C1)(CC=CC3)O2
Isomeric Smiles
O1C23C1(CC=CC2)CC=CC3
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7861223
LogD (pH = 7.4)
1.7861223
Log P
1.7861223
Molar Refractivity
45.8823
Polarizability
17.175457
Polar Surface Area
12.53
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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