Molecule

ID:736

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₆O₃
Molecular Mass
360.53014
Exact Mass
360.26644501
Charge
0
InChI
InChI=1S/C23H36O3/c1-5-21(25)26-20-9-8-17-16-7-6-15-12-19(24)14(2)13-23(15,4)18(16)10-11-22(17,20)3/h14-18,20H,5-13H2,1-4H3/t14-,15+,16+,17+,18+,20+,22+,23+/m1/s1
InChIKey
NOTIQUSPUUHHEH-UXOVVSIBSA-N
Canonic Smiles
CCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@@H](C)C(=O)C2
Isomeric Smiles
O([C@@H]1[C@@]2([C@H]([C@H]3[C@@H]([C@@]4([C@@H](CC3)CC(=O)[C@@H](C4)C)C)CC2)CC1)C)C(=O)CC
Calculated Properties
JChem
LogD (pH = 7.4)
5.10
LogD (pH = 5.5)
5.10
Log P
5.10
Rotatable Bonds
3
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
-6.89
Polar Surface Area
43.37
Polarizability
43.19
Molar Refractivity
101.96
LOG S
-5.07
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...