C1=CC=C(C=C1)CON2C(=O)C3=CC=CC4=C3C(=CC(=C4[N+](=O)[O-])Br)C2=O
이름: 5-bromo-6-nitro-2-phenylmethoxybenzo[de]isoquinoline-1,3-dione
SMILES: C1=CC=C(C=C1)CON2C(=O)C3=CC=CC4=C3C(=CC(=C4[N+](=O)[O-])Br)C2=O

Molecular Processing

Molecular formula
C19H11BrN2O5
Molecular weight
427.21
Exact mass
425.9851
XLogP
4.24
TPSA
89.75
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.053
Molar refractivity
100.03

Supplementary Information

InChIKey: IFTIXOTURKKYNL-UHFFFAOYSA-N
동의어
SCHEMBL7706709IFTIXOTURKKYNL-UHFFFAOYSA-N2-benzyloxy-5-bromo-6-nitro-benzo[de]isoquinoline-1,3-dione
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