SMILES:
N#CN=C1NCCN1Cc1ccccc1Molecular Processing
Molecular formula
C11H12N4
Molecular weight
200.25
Exact mass
200.1062
XLogP
0.93
TPSA
51.42
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
57.9
Supplementary Information
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