名称: 7-chloro-5-(2-fluorophenyl)-N-hydroxy-α-nitro-3H-1,4-benzodiazepine-2-methanimine 4-oxide
SMILES:
O=[N+]([O-])C(=NO)C1=Nc2ccc(Cl)cc2C(c2ccccc2F)=[N+]([O-])C1Molecular Processing
Molecular formula
C16H10ClFN4O4
Molecular weight
376.73
Exact mass
376.0375
XLogP
2.98
TPSA
114.16
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
92.87
Supplementary Information
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