Molecule

ID:127359

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₈O₂
Molecular Mass
300.43512
Exact Mass
300.20893014
Charge
0
InChI
InChI=1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,14-18,21-22H,4-11H2,2H3/t14-,15-,16+,17+,18-,19-,20-/m0/s1
InChIKey
JYILPERKVHXLNF-QMNUTNMBSA-N
Canonic Smiles
C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C[C@H](CC[C@H]12)O
Isomeric Smiles
O[C@@H]1C=C2[C@@H]([C@H]3CC[C@]4([C@@H](CC[C@]4(C#C)O)[C@@H]3CC2)C)CC1
Calculated Properties
JChem
LogD (pH = 7.4)
2.81
LogD (pH = 5.5)
2.81
Log P
2.81
Rotatable Bonds
0
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-1.38
Polar Surface Area
40.46
Polarizability
35.26
Molar Refractivity
88.32
LOG S
-4.59
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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