SMILES:
O=C(Cn1cnc2ccccc21)NCc1ccc(Cl)cc1Molecular Processing
Molecular formula
C16H14ClN3O
Molecular weight
299.76
Exact mass
299.0825
XLogP
3.01
TPSA
46.92
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
83.03
Supplementary Information
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