الاسم: compound 45
SMILES:
Cl.Cl.Cl.O=C(CC1CCNCC1)N(Cc1ncc[nH]1)Cc1ncc[nH]1Molecular Processing
Molecular formula
C15H25Cl3N6O
Molecular weight
411.77
Exact mass
410.1155
XLogP
2.32
TPSA
89.7
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
4
Fraction Csp3
0.533
Molar refractivity
103.38
Supplementary Information
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