Molecule

ID:85799

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O
Molecular Mass
150.21756
Exact Mass
150.10446507
Charge
0
InChI
InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3
InChIKey
DCSCXTJOXBUFGB-UHFFFAOYSA-N
Canonic Smiles
CC1=CC(=O)C2CC1C2(C)C
Isomeric Smiles
O=C1C2C(C(C2)C(=C1)C)(C)C
Calculated Properties
JChem
Acid pKa
19.843767
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.238156
LogD (pH = 7.4)
2.238156
Log P
2.238156
Molar Refractivity
45.3663
Polarizability
17.524591
Polar Surface Area
17.07
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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