SMILES:
CC1(c2ccc(C#N)cc2)C(=O)N(Cc2ccccc2)Cc2cncn21.ClMolecular Processing
Molecular formula
C21H19ClN4O
Molecular weight
378.86
Exact mass
378.1247
XLogP
3.48
TPSA
61.92
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.19
Molar refractivity
104.08
Supplementary Information
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