Molecule

ID:128346

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/h6,9,13,15-17,22H,4-5,7-8,10-12H2,1-3H3/t13-,15+,16-,17-,18-,19-,20-/m0/s1
InChIKey
JRNSSSJKIGAFCT-YDSAWKJFSA-N
Canonic Smiles
O=C1C=C[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C)C
Isomeric Smiles
O=C1C=C[C@]2([C@@H](CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@]2(O)C)C)C1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6896577
LogD (pH = 7.4)
3.6896577
Log P
3.6896577
Molar Refractivity
89.3346
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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