Molecule

ID:53507

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₂O₄
Molecular Mass
372.49778
Exact Mass
372.2300595
Charge
0
InChI
InChI=1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3/t17-,18-,19-,20+,22-,23-/m0/s1
InChIKey
VPGRYOFKCNULNK-ACXQXYJUSA-N
Canonic Smiles
CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
Isomeric Smiles
[C@]12(C)[C@H]([C@H]3[C@H](CC2)[C@]2(C)C(=CC(=O)CC2)CC3)CC[C@@H]1C(=O)COC(=O)C
Calculated Properties
JChem
Acid pKa
17.183268
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.7724817
LogD (pH = 7.4)
3.7724817
Log P
3.7724817
Molar Refractivity
103.559
Polarizability
40.84742
Polar Surface Area
60.44
Rotatable Bonds
4
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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