CC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C=C(C=C2[N+](=O)[O-])Br
이름: 6-bromo-2-methyl-1-(naphthalen-1-ylmethyl)-4-nitrobenzimidazole
SMILES: CC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C=C(C=C2[N+](=O)[O-])Br

Molecular Processing

Molecular formula
C19H14BrN3O2
Molecular weight
396.24
Exact mass
395.0269
XLogP
5.22
TPSA
60.96
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.105
Molar refractivity
101.87

Supplementary Information

InChIKey: YJMVMGPJBYEMIM-UHFFFAOYSA-N
동의어
SCHEMBL1281326YJMVMGPJBYEMIM-UHFFFAOYSA-N6-bromo-2-methyl-1-(naphthalen-1-ylmethyl)-4-nitro-1H-benzo[d]imidazole
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