이름: 5-methyl-4H-3,1-benzoxazin-2,4-dione
SMILES:
Cc1cccc2[nH]c(=O)oc(=O)c12Molecular Processing
Molecular formula
C9H7NO3
Molecular weight
177.16
Exact mass
177.0426
XLogP
0.79
TPSA
63.07
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
13
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
0.111
Molar refractivity
47.84
Supplementary Information
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