SMILES:
NCCc1cnn2ccc3c(c12)CCO3Molecular Processing
Molecular formula
C11H13N3O
Molecular weight
203.24
Exact mass
203.1059
XLogP
0.77
TPSA
52.55
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
57.15
Supplementary Information
Details werden geladen…
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