Molecule

ID:128885

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀O₃
Molecular Mass
248.3175
Exact Mass
248.1412445
Charge
0
InChI
InChI=1S/C15H20O3/c1-9(2)11-5-4-10(3)6-12-14(18-12)15(8-17-15)13(16)7-11/h4-5,9,11-12,14H,3,6-8H2,1-2H3/b5-4+/t11-,12+,14+,15-/m0/s1
InChIKey
KVFSFBCTIZBPRK-KGDVWTLMSA-N
Canonic Smiles
C=C1C=C[C@@H](CC(=O)[C@]2([C@H]3[C@@H](C1)O3)CO2)C(C)C
Isomeric Smiles
O=C1[C@]2(OC2)[C@@H]2O[C@@H]2CC(=C)C=C[C@H](C(C)C)C1
Calculated Properties
JChem
Acid pKa
18.769432
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5509174
LogD (pH = 7.4)
2.5509174
Log P
2.5509174
Molar Refractivity
69.2443
Polarizability
27.145802
Polar Surface Area
42.13
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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