SMILES:
N#Cc1ccc(CN2CCNCC2=O)cc1Molecular Processing
Molecular formula
C12H13N3O
Molecular weight
215.26
Exact mass
215.1059
XLogP
0.49
TPSA
56.13
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
59.44
Supplementary Information
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