SMILES:
CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(Cl)cc34)cn2)CC1Molecular Processing
Molecular formula
C17H18ClN5O2
Molecular weight
359.82
Exact mass
359.1149
XLogP
3.11
TPSA
90.18
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
95.18
Supplementary Information
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