SMILES:
Cl.O=C(N[C@H]1CN2CCC1CC2)c1cc2cccn2cn1Molecular Processing
Molecular formula
C15H19ClN4O
Molecular weight
306.8
Exact mass
306.1247
XLogP
1.58
TPSA
49.64
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.467
Molar refractivity
82.86
Supplementary Information
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