Molecule

ID:133644

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₆O₃
Molecular Mass
360.53014
Exact Mass
360.26644501
Charge
0
InChI
InChI=1S/C23H36O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h16-21H,5-13H2,1-4H3/t16-,17?,18?,19?,20?,21?,22?,23?/m0/s1
InChIKey
GFHOQCXDABGYAL-ZVKOYPPWSA-N
Canonic Smiles
CC(=O)OC1CCC2([C@H](C1)CCC1C2CCC2(C1CCC2C(=O)C)C)C
Isomeric Smiles
CC(=O)C1CCC2C1(CCC1C2CC[C@@H]2C1(CCC(C2)OC(=O)C)C)C
Calculated Properties
JChem
Acid pKa
19.403042
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.4280634
LogD (pH = 7.4)
4.4280634
Log P
4.4280634
Molar Refractivity
102.0582
Polarizability
41.01097
Polar Surface Area
43.37
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation