Name: 6-benzyl-4-chloro-1,7-dimethyl-6H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyridine
SMILES:
Cc1cc2c(cc(Cl)c3nnc(C)n32)n1Cc1ccccc1Molecular Processing
Molecular formula
C17H15ClN4
Molecular weight
310.79
Exact mass
310.0985
XLogP
4
TPSA
35.12
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
88.51
Supplementary Information
Details werden geladen…
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