Cc1cc(C)c2c(C#N)c(C=O)n([C@@H]3CCCc4ccccc43)c2n1
SMILES: Cc1cc(C)c2c(C#N)c(C=O)n([C@@H]3CCCc4ccccc43)c2n1

Molecular Processing

Molecular formula
C21H19N3O
Molecular weight
329.4
Exact mass
329.1528
XLogP
4.26
TPSA
58.68
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
96.83

Supplementary Information

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