Molecule

ID:129220

General Information
Structure
MolImage
Molecular Formula
C₂₅H₃₄O₂
Molecular Mass
366.53626
Exact Mass
366.25588033
Charge
0
InChI
InChI=1S/C25H34O2/c1-3-25(26)15-13-23-22-10-8-17-16-19(27-18-6-4-5-7-18)9-11-20(17)21(22)12-14-24(23,25)2/h1,8,16,18,20-23,26H,4-7,9-15H2,2H3/t20-,21+,22+,23-,24-,25-/m0/s1
InChIKey
PCJFRMOEZQQSAX-AIOSZGMZSA-N
Canonic Smiles
C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@@H]1CCC(=C2)OC1CCCC1
Isomeric Smiles
O(C1=CC2=CC[C@@H]3[C@H](CC[C@]4(C)[C@@](C#C)(O)CC[C@@H]34)[C@H]2CC1)C1CCCC1
Calculated Properties
JChem
Acid pKa
17.594925
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.3155537
LogD (pH = 7.4)
4.3155537
Log P
4.3155537
Molar Refractivity
111.1337
Polarizability
42.8738
Polar Surface Area
29.46
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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