Molecule

ID:125623

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₂
Molecular Mass
178.22766
Exact Mass
178.09937969
Charge
0
InChI
InChI=1S/C11H14O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h4,6-7H,5H2,1-3H3
InChIKey
VGQSMHFBCKKQHB-UHFFFAOYSA-N
Canonic Smiles
O=C1C=C2C(O1)(C)C=CCC2(C)C
Isomeric Smiles
CC12OC(=O)C=C1C(C)(C)CC=C2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3615458
LogD (pH = 7.4)
2.3615458
Log P
2.3615458
Molar Refractivity
51.8955
Polarizability
19.812569
Polar Surface Area
26.3
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
References
Bioactivity
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