SMILES:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(N(CCCNC(=O)CCNC(=O)CCNC(=O)CCCCCNc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])S(=O)(=O)c5ccccc5[N+](=O)[O-])CCC4(C)C3CCC12CMolecular Processing
Molecular formula
C54H80N8O11S
Molecular weight
1049.35
Exact mass
1048.5667
XLogP
10
TPSA
266.13
H-bond donors
4
H-bond acceptors
12
Rotatable bonds
28
Heavy atoms
74
Rings
6
Aromatic rings
2
Saturated rings
3
Aliphatic rings
4
Stereo centers
8
Undefined stereo
8
Formal charge
0
Heteroatoms
20
Covalent units
1
Fraction Csp3
0.685
Molar refractivity
283.41
Supplementary Information
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