Molecule

ID:2706

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄O₂
Molecular Mass
284.39266
Exact Mass
284.17763001
Charge
0
InChI
InChI=1S/C19H24O2/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/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1
InChIKey
CCCIJQPRIXGQOE-XWSJACJDSA-N
Canonic Smiles
O=C1CCC2=C3C=C[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@]4(C)O)C
Isomeric Smiles
C1CC(=O)C=C2CC[C@@H]3C(=C12)C=C[C@]1([C@H]3CC[C@]1(C)O)C
Calculated Properties
JChem
Acid pKa
18.903393
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5347936
LogD (pH = 7.4)
2.5347939
Log P
2.5347939
Molar Refractivity
86.2929
Polarizability
32.78173
Polar Surface Area
37.3
Rotatable Bonds
0
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
3.11
LOG S
-3.93
Solubility (Water)
3.32e-02 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
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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