CN1CC2CCN(C2C1)C3=CC=C(C=C3)Br
名称: (3aR,6aR)-1-(4-bromophenyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILES: CN1CC2CCN(C2C1)C3=CC=C(C=C3)Br

Molecular Processing

Molecular formula
C13H17BrN2
Molecular weight
281.2
Exact mass
280.0575
XLogP
2.59
TPSA
6.48
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
70.88

Supplementary Information

InChIKey: JQFMTRCQEFPEMJ-MFKMUULPSA-N
同義語
CHEMBL560358SCHEMBL2410032JQFMTRCQEFPEMJ-MFKMUULPSA-NBDBM50294079(3aR, 6aR)-1-(4-Bromo-phenyl)-5-methyl-octahydro-pyrrolo[3,4-b]pyrrole(3aR,6aR)-1-(4-Bromo-phenyl)-5-methyl-octahydro-pyrrolo[3,4-b]pyrrole(3aR,6aR)-1-(4-Bromophenyl)-5-methyloctahydropyrrolo[3,4-b]pyrrole3aR,6aR)-1-(4-Bromo-phenyl)-5-methyl-octahydro-pyrrolo[3,4-b]pyrrole
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