SMILES:
COc1c(C)cnc(CSc2nc3cc4c(cc3[nH]2)OCO4)c1CMolecular Processing
Molecular formula
C17H17N3O3S
Molecular weight
343.41
Exact mass
343.0991
XLogP
3.6
TPSA
69.26
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
24
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
92.04
Supplementary Information
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