SMILES:
Oc1cccc(CNc2nnnn2-c2cccc(Cl)c2Cl)c1Molecular Processing
Molecular formula
C14H11Cl2N5O
Molecular weight
336.18
Exact mass
335.0341
XLogP
3.29
TPSA
75.86
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
84.61
Supplementary Information
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