이름: 7-nitro-5-phenyl-1H-1,5-benzodiazepine-2,4-dione
SMILES:
O=C1CC(=O)N(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1Molecular Processing
Molecular formula
C15H11N3O4
Molecular weight
297.27
Exact mass
297.075
XLogP
2.6
TPSA
92.55
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
79.93
Supplementary Information
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