SMILES:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(NCCCNC(=O)CCNC(=O)CCNC(=O)CCCCCNc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])CCC4(C)C3CCC12CMolecular Processing
Molecular formula
C48H77N7O7
Molecular weight
864.19
Exact mass
863.5884
XLogP
8.99
TPSA
197.64
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
25
Heavy atoms
62
Rings
5
Aromatic rings
1
Saturated rings
3
Aliphatic rings
4
Stereo centers
8
Undefined stereo
8
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.771
Molar refractivity
244.43
Supplementary Information
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