Molecule
ID:119027
General Information
Molecular Formula
C₂₃H₃₄O₂
Molecular Mass
342.51486
Exact Mass
342.25588033
Charge
0
InChI
InChI=1S/C23H34O2/c1-14-12-20-18-7-6-16-13-17(25)8-10-21(16,3)19(18)9-11-22(20,4)23(14,5)15(2)24/h13-14,18-20H,6-12H2,1-5H3/t14-,18-,19+,20+,21+,22+,23-/m1/s1
InChIKey
NOSSBHBMUGGCBX-OTAQKNNKSA-N
Canonic Smiles
O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@H]([C@]2(C)C(=O)C)C)C)C
Isomeric Smiles
[C@@]12([C@H]([C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)CC2)C[C@H]([C@@]1(C(=O)C)C)C)C
Calculated Properties
JChem
Acid pKa
18.855831
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.9916377
LogD (pH = 7.4)
4.9916377
Log P
4.9916377
Molar Refractivity
101.7549
Polarizability
40.086826
Polar Surface Area
34.14
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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