Molecule

ID:129307

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂O
Molecular Mass
218.33458
Exact Mass
218.16706532
Charge
0
InChI
InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)16/h10-12H,1,5-8H2,2-4H3/t10-,11-,12+/m0/s1
InChIKey
NUWMTBMCSQWPDG-SDDRHHMPSA-N
Canonic Smiles
CC(=C)[C@@H]1CC[C@@H](C2=C(C1)[C@@H](C)CC2=O)C
Isomeric Smiles
O=C1C2=C([C@H](C1)C)C[C@H](C(=C)C)CC[C@@H]2C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7953403
LogD (pH = 7.4)
3.7953403
Log P
3.7953403
Molar Refractivity
67.9525
Polarizability
26.51552
Polar Surface Area
17.07
Rotatable Bonds
1
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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