Molecule

ID:128245

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₀O₃
Molecular Mass
354.4825
Exact Mass
354.21949482
Charge
0
InChI
InChI=1S/C23H30O3/c1-13-10-17-18(21(4)8-6-16(25)12-19(13)21)7-9-22(5)20(17)11-14(2)23(22,26)15(3)24/h10,12,17-18,20,26H,2,6-9,11H2,1,3-5H3/t17-,18+,20+,21-,22+,23+/m1/s1
InChIKey
OKHAOBQKCCIRLO-IBVJIVQJSA-N
Canonic Smiles
O=C1CC[C@]2(C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC(=C)[C@]2(O)C(=O)C)C)C)C
Isomeric Smiles
O=C1C=C2C(=C[C@@H]3[C@H](CC[C@@]4([C@](O)(C(=C)C[C@@H]34)C(=O)C)C)[C@@]2(C)CC1)C
Calculated Properties
JChem
Acid pKa
12.214331
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.3778996
LogD (pH = 7.4)
3.377893
Log P
3.3778996
Molar Refractivity
103.676
Polarizability
40.216084
Polar Surface Area
54.37
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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