Molecule

ID:126326

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₄O₄
Molecular Mass
374.51366
Exact Mass
374.24570957
Charge
0
InChI
InChI=1S/C23H34O4/c1-14(11-22(26)27)19-8-9-20-16(5-4-10-23(19,20)3)6-7-17-12-18(24)13-21(25)15(17)2/h6-7,14,18-21,24-25H,2,4-5,8-13H2,1,3H3,(H,26,27)/t14-,18+,19-,20+,21-,23-/m1/s1
InChIKey
MBLYZRMZFUWLOZ-RSLLPTATSA-N
Canonic Smiles
OC(=O)C[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C/C=C/1\C[C@H](O)C[C@H](C1=C)O)C
Isomeric Smiles
O=C(O)C[C@@H](C)[C@H]1CC[C@H]2/C(=C\C=C/3\C(=C)[C@H](O)C[C@@H](O)C3)/CCC[C@]12C
Calculated Properties
JChem
Acid pKa
4.9145412
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
2.1956425
LogD (pH = 7.4)
0.43158337
Log P
2.880889
Molar Refractivity
108.0102
Polarizability
41.927895
Polar Surface Area
77.76
Rotatable Bonds
4
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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