Molecule

ID:134182

General Information
Structure
MolImage
Molecular Formula
C₂₅H₄₈N₄O₇
Molecular Mass
516.67122
Exact Mass
516.3522999
Charge
0
InChI
InChI=1S/C25H48N4O7/c1-7-8-9-17(26)25(36)29-18(10-14(2)3)20(30)12-22(32)27-16(6)24(35)28-19(11-15(4)5)21(31)13-23(33)34/h14-21,30-31H,7-13,26H2,1-6H3,(H,27,32)(H,28,35)(H,29,36)(H,33,34)
InChIKey
OZDVVQOUJDQIKT-UHFFFAOYSA-N
Canonic Smiles
CCCCC(C(=O)NC(C(CC(=O)NC(C(=O)NC(C(CC(=O)O)O)CC(C)C)C)O)CC(C)C)N
Isomeric Smiles
CCCCC(C(=O)NC(CC(C)C)C(CC(=O)NC(C)C(=O)NC(CC(C)C)C(CC(=O)O)O)O)N
Calculated Properties
JChem
Acid pKa
4.0156684
H Acceptors
8
H Donor
7
LogD (pH = 5.5)
-1.6311014
LogD (pH = 7.4)
-1.6549758
Log P
-1.6242234
Molar Refractivity
134.6363
Polarizability
53.765892
Polar Surface Area
191.08
Rotatable Bonds
18
Lipinski's Rule of Five
false
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
References
Bioactivity
Navigation