SMILES:
COc1cc(-n2ccnc2)ccc1-c1nnc(-c2c(-c3ccccc3)noc2C)o1Molecular Processing
Molecular formula
C22H17N5O3
Molecular weight
399.41
Exact mass
399.1331
XLogP
4.56
TPSA
92
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
30
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
109.08
Supplementary Information
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