O=[N+]([O-])C=C1C[N+]([O-])=C(c2ccccc2F)c2cc(Cl)ccc2N1
名称: 7-Chloro-5-(2-fluorophenyl)-1,3-dihydro-2-nitromethylene-2H-1,4-benzodiazepine-4-oxide
SMILES: O=[N+]([O-])C=C1C[N+]([O-])=C(c2ccccc2F)c2cc(Cl)ccc2N1

Molecular Processing

Molecular formula
C16H11ClFN3O3
Molecular weight
347.73
Exact mass
347.0473
XLogP
3.37
TPSA
81.24
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
88.26

Supplementary Information

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