SMILES:
Clc1ccc(NN2C=CC(OCc3ccncc3)=CN2)cc1Molecular Processing
Molecular formula
C16H15ClN4O
Molecular weight
314.78
Exact mass
314.0934
XLogP
3.45
TPSA
49.42
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
86.3
Supplementary Information
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