C=CCCCn1cnc2c(F)c(Nc3ccc(Br)cc3C)c(C(=O)O)cc21
이름: 6-(4-bromo-2-methylanilino)-7-fluoro-3-pent-4-enylbenzimidazole-5-carboxylic acid
SMILES: C=CCCCn1cnc2c(F)c(Nc3ccc(Br)cc3C)c(C(=O)O)cc21

Molecular Processing

Molecular formula
C20H19BrFN3O2
Molecular weight
432.29
Exact mass
431.0645
XLogP
5.65
TPSA
67.15
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
108.24

Supplementary Information

InChIKey: FVTCLBFJZYMFRP-UHFFFAOYSA-N
동의어
SCHEMBL3862546FVTCLBFJZYMFRP-UHFFFAOYSA-N6(4-Bromo-2-methyl-phenylamino)-7-fluoro-3-pent-4-enyl-3H-benzoimidazole-5-carboxylic acid6-(4-Bromo-2-methyl-phenylamino)-7-fluoro-3-pent-4-enyl-3H-benzoimidazole-5-carboxylic acid
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