SMILES:
CC1Cc2cnccc2NC1=OMolecular Processing
Molecular formula
C9H10N2O
Molecular weight
162.19
Exact mass
162.0793
XLogP
1.21
TPSA
41.99
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
45.73
Supplementary Information
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