이름: compound 12
SMILES:
COc1ccc2c(C3CC3)ccc(-n3c(N)nnc3SCC(=O)Nc3ccc(C(=O)O)cc3Cl)c2c1Molecular Processing
Molecular formula
C25H22ClN5O4S
Molecular weight
524
Exact mass
523.1081
XLogP
4.97
TPSA
132.36
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
139.57
Supplementary Information
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