CCN(CC)CCN1C(=O)C(=O)c2c(Br)cccc21
الاسم: 4-bromo-1-[2-(diethylamino)ethyl]indole-2,3-dione
SMILES: CCN(CC)CCN1C(=O)C(=O)c2c(Br)cccc21

Molecular Processing

Molecular formula
C14H17BrN2O2
Molecular weight
325.21
Exact mass
324.0473
XLogP
2.32
TPSA
40.62
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
78.61

Supplementary Information

InChIKey: RDFVBGUOCCSUBM-UHFFFAOYSA-N
مرادفات
SCHEMBL6180021RDFVBGUOCCSUBM-UHFFFAOYSA-NAKOS0002457661-(2-diethylaminoethyl)-4-bromoisatin
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