SMILES:
O=C(NC1CCCc2c1[nH]c1ccc(Cl)cc21)c1cc[nH]n1Molecular Processing
Molecular formula
C16H15ClN4O
Molecular weight
314.78
Exact mass
314.0934
XLogP
3.35
TPSA
73.57
H-bond donors
3
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
85.04
Supplementary Information
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