SMILES:
C=C(C)C(C(=O)OCc1ccccc1[N+](=O)[O-])N1C(=O)C(NC(=O)Cc2ccccc2)C1SSc1nc2ccccc2s1Molecular Processing
Molecular formula
C30H26N4O6S3
Molecular weight
634.76
Exact mass
634.1014
XLogP
5.53
TPSA
131.74
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
12
Heavy atoms
43
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
167.27
Supplementary Information
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