이름: 8-(3-(trifluoromethyl)phenyl)-3H,6H-1,4,5a,8a-tetraazaacenaphthylene-3,5(4H)-dione
SMILES:
O=c1[nH]c(=O)n2c3c1cnn3C(c1cccc(C(F)(F)F)c1)=CC2Molecular Processing
Molecular formula
C15H9F3N4O2
Molecular weight
334.26
Exact mass
334.0678
XLogP
1.81
TPSA
72.68
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
24
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
79.43
Supplementary Information
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