Molecule

ID:128358

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₆O₂
Molecular Mass
286.40854
Exact Mass
286.19328007
Charge
0
InChI
InChI=1S/C19H26O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h11,16-17,21H,3-10H2,1-2H3/t16-,17+,18+,19+/m1/s1
InChIKey
RDJBOAMEIJEKEY-XWSJACJDSA-N
Canonic Smiles
O=C1CCC2=C3CC[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@]4(C)O)C
Isomeric Smiles
O=C1C=C2C(=C3CC[C@]4(C)[C@@](C)(O)CC[C@H]4[C@@H]3CC2)CC1
Calculated Properties
JChem
Acid pKa
19.070051
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8967152
LogD (pH = 7.4)
2.8967156
Log P
2.8967156
Molar Refractivity
85.1763
Polarizability
33.02064
Polar Surface Area
37.3
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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