Molecule

ID:129116

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₄O₄
Molecular Mass
386.52436
Exact Mass
386.24570957
Charge
0
InChI
InChI=1S/C24H34O4/c1-5-20-27-23(15(2)25)12-13-24(28-20)19-7-6-16-14-17(26)8-10-21(16,3)18(19)9-11-22(23,24)4/h14,18-20H,5-13H2,1-4H3/t18-,19+,20?,21-,22+,23-,24?/m0/s1
InChIKey
MQSDUYIXZDSLSZ-PBOAUANTSA-N
Canonic Smiles
CCC1OC23CC[C@@](O1)([C@@]3(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C(=O)C
Isomeric Smiles
CCC1OC23CC[C@]([C@]2(CC[C@H]2[C@H]3CCC3=CC(=O)CC[C@]23C)C)(O1)C(=O)C
Calculated Properties
JChem
Acid pKa
17.908289
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.4110684
LogD (pH = 7.4)
4.4110684
Log P
4.4110684
Molar Refractivity
107.2104
Polarizability
42.579018
Polar Surface Area
52.6
Rotatable Bonds
2
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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