COC1=CC2=C(C=C1)NC(=C2)C=CC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]
Name: 2-[2-(3,5-dinitrophenyl)ethenyl]-5-methoxy-1H-indole
SMILES: COC1=CC2=C(C=C1)NC(=C2)C=CC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Molecular Processing

Molecular formula
C17H13N3O5
Molecular weight
339.31
Exact mass
339.0855
XLogP
4.16
TPSA
111.3
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.059
Molar refractivity
93.53

Supplementary Information

InChIKey: IVARPPVZECDWKU-UHFFFAOYSA-N
Synonyme
IVARPPVZECDWKU-UHFFFAOYSA-N5-Methoxy-2-[2-(3,5-dinitrophenyl)ethenyl]-1H-indole
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