Molecule

ID:129358

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O
Molecular Mass
150.21756
Exact Mass
150.10446507
Charge
0
InChI
InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3
InChIKey
SGAWOGXMMPSZPB-UHFFFAOYSA-N
Canonic Smiles
O=CC1=C(C)C=CCC1(C)C
Isomeric Smiles
O=CC1=C(C=CCC1(C)C)C
Calculated Properties
JChem
LogD (pH = 7.4)
2.05
LogD (pH = 5.5)
2.05
Log P
2.05
Rotatable Bonds
1
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-4.28
Polar Surface Area
17.07
Polarizability
17.30
Molar Refractivity
48.22
LOG S
-2.21
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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