SMILES:
CC1c2ccn(-c3nnn[nH]3)c2CCN1C(=O)c1cc2ncc(Cl)cn2n1Molecular Processing
Molecular formula
C16H14ClN9O
Molecular weight
383.8
Exact mass
383.101
XLogP
1.45
TPSA
109.89
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
27
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
94.66
Supplementary Information
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