N#Cc1ncccc1C12CCCN(CC1)C2
SMILES: N#Cc1ncccc1C12CCCN(CC1)C2

Molecular Processing

Molecular formula
C13H15N3
Molecular weight
213.28
Exact mass
213.1266
XLogP
1.69
TPSA
39.92
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
60.92

Supplementary Information

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