SMILES:
Cc1cc(C)c2c(n1)CC(c1ccccc1Cl)CC2=NNC(=N)N.ClMolecular Processing
Molecular formula
C18H21Cl2N5
Molecular weight
378.31
Exact mass
377.1174
XLogP
3.69
TPSA
87.15
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.278
Molar refractivity
105.06
Supplementary Information
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