SMILES:
Cc1c(N2CCN(C(=O)OC(C)C)CC2)nnn1-c1cccnc1ClMolecular Processing
Molecular formula
C16H21ClN6O2
Molecular weight
364.84
Exact mass
364.1415
XLogP
2.29
TPSA
76.38
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
94.3
Supplementary Information
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