N#Cc1cc(I)c(N)cc1C(F)(F)F
الاسم: 4-Amino-5-iodo-2-trifluoromethyl-benzonitrile
SMILES: N#Cc1cc(I)c(N)cc1C(F)(F)F

Molecular Processing

Molecular formula
C8H4F3IN2
Molecular weight
312.03
Exact mass
311.9371
XLogP
2.76
TPSA
49.81
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
53.29

Supplementary Information

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