Название: 7-bromo-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine
SMILES:
CC1CN(CCC2=C1C=C(C=C2)Br)CMolecular Processing
Molecular formula
C12H16BrN
Molecular weight
254.17
Exact mass
253.0466
XLogP
3.04
TPSA
3.24
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
63.76
Supplementary Information
InChIKey: DJXILNIIDWIGHS-UHFFFAOYSA-N
Синонимы
SCHEMBL2202871DJXILNIIDWIGHS-UHFFFAOYSA-NN-methyl-8-Bromo-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
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