SMILES:
Cc1ccnc2c1C(=NNC(=N)N)CC(c1ccccc1Cl)C2.O=C1CC[C@@H](C(=O)O)N1Molecular Processing
Molecular formula
C22H25ClN6O3
Molecular weight
456.93
Exact mass
456.1677
XLogP
2.31
TPSA
153.55
H-bond donors
5
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.318
Molar refractivity
121.88
Supplementary Information
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