SMILES:
COc1ccc(C2(O)C(c3ccccc3Cl)SC3=NCCCCN32)cc1OCMolecular Processing
Molecular formula
C21H23ClN2O3S
Molecular weight
418.95
Exact mass
418.1118
XLogP
4.44
TPSA
54.29
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
113.47
Supplementary Information
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