SMILES:
CC(=CC#N)NCc1ccc(Cl)nc1Molecular Processing
Molecular formula
C10H10ClN3
Molecular weight
207.66
Exact mass
207.0563
XLogP
2.25
TPSA
48.71
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
55.46
Supplementary Information
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