SMILES:
N#CNC(=NCCNC(=O)c1ccccc1Cl)NC1CCCC(c2csc(NC(=N)N)n2)C1.O=C(O)/C=C\C(=O)OMolecular Processing
Molecular formula
C25H30ClN9O5S
Molecular weight
604.09
Exact mass
603.1779
XLogP
2.29
TPSA
238.7
H-bond donors
8
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
41
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
16
Covalent units
2
Fraction Csp3
0.32
Molar refractivity
155.03
Supplementary Information
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