SMILES:
CC1C2=C(C=CC2(C)C)CCN1C(=O)c1cc2ncc(Cl)cn2n1Molecular Processing
Molecular formula
C18H19ClN4O
Molecular weight
342.83
Exact mass
342.1247
XLogP
3.51
TPSA
50.5
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
93.06
Supplementary Information
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