Cc1cc(Br)ccc1Nc1c(C(=O)NN)cc2[nH]cnc2c1F
Name: 6-(4-bromo-2-methylanilino)-7-fluoro-3H-benzimidazole-5-carbohydrazide
SMILES: Cc1cc(Br)ccc1Nc1c(C(=O)NN)cc2[nH]cnc2c1F

Molecular Processing

Molecular formula
C15H13BrFN5O
Molecular weight
378.21
Exact mass
377.0288
XLogP
3.12
TPSA
95.83
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
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
0.067
Molar refractivity
89.87

Supplementary Information

InChIKey: JHFFKDMULORURZ-UHFFFAOYSA-N
Synonyme
SCHEMBL1076682JHFFKDMULORURZ-UHFFFAOYSA-N6-(4-Bromo-2-methyl-phenylamino)-7-fluoro-3H-benzoimidazole-5-carboxylic acid hydrazide
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