SMILES:
C[C@H]1CN(c2ccc(C#N)cn2)CCN1Molecular Processing
Molecular formula
C11H14N4
Molecular weight
202.26
Exact mass
202.1218
XLogP
0.75
TPSA
51.95
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
58.63
Supplementary Information
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