Molecule

ID:87149

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆O
Molecular Mass
164.24414
Exact Mass
164.12011513
Charge
0
InChI
InChI=1S/C11H16O/c1-11(2,3)12-10-8-4-5-9(10)7-6-8/h4-10H,1-3H3
InChIKey
PTTSCAGWOHYHDN-UHFFFAOYSA-N
Canonic Smiles
CC(OC1C2C=CC1C=C2)(C)C
Isomeric Smiles
O(C1C2C=CC1C=C2)C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0755873
LogD (pH = 7.4)
2.0755873
Log P
2.0755873
Molar Refractivity
52.6055
Polarizability
19.757114
Polar Surface Area
9.23
Rotatable Bonds
2
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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