이름: ( 2 )
SMILES:
O=CNCc1ncc(-c2ccccc2)o1Molecular Processing
Molecular formula
C11H10N2O2
Molecular weight
202.21
Exact mass
202.0742
XLogP
1.59
TPSA
55.13
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
54.84
Supplementary Information
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