SMILES:
c1cnc2c(c1)CC(Cc1c[nH]cn1)CC2Molecular Processing
Molecular formula
C13H15N3
Molecular weight
213.28
Exact mass
213.1266
XLogP
2.15
TPSA
41.57
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
62.04
Supplementary Information
Details werden geladen…
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