이름: (S)-2-(1-Aminoethyl)-5-methyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4(3H)-one
SMILES:
Cc1ccn2nc([C@H](C)N)n(-c3ccccc3)c(=O)c12Molecular Processing
Molecular formula
C15H16N4O
Molecular weight
268.32
Exact mass
268.1324
XLogP
1.81
TPSA
65.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
78.13
Supplementary Information
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