SMILES:
Clc1ncnc2c1c(-c1ccco1)nn2Cc1ccccc1Molecular Processing
Molecular formula
C16H11ClN4O
Molecular weight
310.74
Exact mass
310.0621
XLogP
3.79
TPSA
56.74
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
83.58
Supplementary Information
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