SMILES:
NCC#Cc1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=O)C3)cc1Molecular Processing
Molecular formula
C21H16ClN5O
Molecular weight
389.85
Exact mass
389.1043
XLogP
3.35
TPSA
92.93
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.095
Molar refractivity
110.47
Supplementary Information
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