SMILES:
C1=NCC2=C3C(=C1)CCCC3CCC2Molecular Processing
Molecular formula
C13H17N
Molecular weight
187.29
Exact mass
187.1361
XLogP
3.28
TPSA
12.36
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
14
Rings
3
Aromatic rings
0
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
59.66
Supplementary Information
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