Name: crude titled product
SMILES:
c1ccc(N2CCNc3nc4ccccc4n3CC2)cc1Molecular Processing
Molecular formula
C17H18N4
Molecular weight
278.36
Exact mass
278.1531
XLogP
2.97
TPSA
33.09
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
21
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
86.88
Supplementary Information
Details werden geladen…
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