SMILES:
O=C(C(Cl)c1ccccc1)N1CCc2c(cnc3[nH]nc(-c4ccccc4)c23)C1Molecular Processing
Molecular formula
C23H19ClN4O
Molecular weight
402.89
Exact mass
402.1247
XLogP
4.49
TPSA
61.88
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
29
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
113.48
Supplementary Information
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