Molecule

ID:107468

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₀O₂
Molecular Mass
302.451
Exact Mass
302.2245802
Charge
0
InChI
InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15?,16-,17-,18?,19?,20-/m0/s1
InChIKey
GCKMFJBGXUYNAG-OYHAKKKBSA-N
Canonic Smiles
O=C1CCC2(C(=C1)CCC1[C@@H]2CCC2([C@H]1CC[C@]2(C)O)C)C
Isomeric Smiles
C[C@]1(O)CC[C@H]2C3CCC4=CC(=O)CCC4(C)[C@H]3CCC12C
Calculated Properties
JChem
Acid pKa
19.086739
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6459997
LogD (pH = 7.4)
3.646
Log P
3.646
Molar Refractivity
89.068
Polarizability
35.103523
Polar Surface Area
37.3
Rotatable Bonds
0
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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