SMILES:
Clc1cccc(/C=C/[C@H]2CCCN2c2ncnc3[nH]cnc23)c1Molecular Processing
Molecular formula
C17H16ClN5
Molecular weight
325.8
Exact mass
325.1094
XLogP
3.69
TPSA
57.7
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
92.54
Supplementary Information
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