Molecule

ID:134316

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₂O₄
Molecular Mass
372.49778
Exact Mass
372.2300595
Charge
0
InChI
InChI=1S/C23H32O4/c1-13(24)23-20(27-23)12-19-17-6-5-15-11-16(26-14(2)25)7-9-21(15,3)18(17)8-10-22(19,23)4/h5,16-20H,6-12H2,1-4H3/t16?,17?,18?,19?,20-,21?,22?,23-/m1/s1
InChIKey
YRLVTBXOGJMZNC-GJCICFDPSA-N
Canonic Smiles
CC(=O)OC1CCC2(C(=CCC3C2CCC2(C3C[C@@H]3[C@]2(O3)C(=O)C)C)C1)C
Isomeric Smiles
CC(=O)[C@]12[C@H](O1)CC1C2(CCC2C1CC=C1C2(CCC(C1)OC(=O)C)C)C
Calculated Properties
JChem
Acid pKa
17.609262
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.3618586
LogD (pH = 7.4)
3.3618586
Log P
3.3618586
Molar Refractivity
102.1596
Polarizability
40.739567
Polar Surface Area
55.9
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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