N#Cc1ccc(C2CCCc3cncn32)c(Br)c1
SMILES: N#Cc1ccc(C2CCCc3cncn32)c(Br)c1

Molecular Processing

Molecular formula
C14H12BrN3
Molecular weight
302.17
Exact mass
301.0215
XLogP
3.44
TPSA
41.61
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
72.16

Supplementary Information

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