이름: 4-(aminomethyl)-3,5-difluorobenzonitrile
SMILES:
N#Cc1cc(F)c(CN)c(F)c1Molecular Processing
Molecular formula
C8H6F2N2
Molecular weight
168.15
Exact mass
168.0499
XLogP
1.3
TPSA
49.81
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
38.96
Supplementary Information
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