SMILES:
Cn1cc2c3c(ccc2n1)CCC3=CCNMolecular Processing
Molecular formula
C13H15N3
Molecular weight
213.28
Exact mass
213.1266
XLogP
1.86
TPSA
43.84
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
66.07
Supplementary Information
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