Molecule

ID:125187

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₈O₂
Molecular Mass
300.43512
Exact Mass
300.20893014
Charge
0
InChI
InChI=1S/C20H28O2/c1-12(21)18-7-8-19-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h11,15-19H,3-10H2,1-2H3/t15-,16+,17+,18+,19-,20+/m0/s1
InChIKey
NVUUMOOKVFONOM-GPBSYSOESA-N
Canonic Smiles
O=C1CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C
Isomeric Smiles
O=C1C=C2[C@@H]([C@H]3CC[C@@]4([C@@H](C(=O)C)CC[C@H]4[C@@H]3CC2)C)CC1
Calculated Properties
JChem
Acid pKa
19.036032
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8485572
LogD (pH = 7.4)
3.8485572
Log P
3.8485572
Molar Refractivity
88.2302
Polarizability
34.555355
Polar Surface Area
34.14
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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