SMILES:
CCCN(CCC)c1cc(C#N)ccn1Molecular Processing
Molecular formula
C12H17N3
Molecular weight
203.29
Exact mass
203.1422
XLogP
2.58
TPSA
39.92
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
61.75
Supplementary Information
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