名称: 6-bromo-1-(2-nitrophenyl)-3,4-dihydro-2H-quinoline
SMILES:
C1CC2=C(C=CC(=C2)Br)N(C1)C3=CC=CC=C3[N+](=O)[O-]Molecular Processing
Molecular formula
C15H13BrN2O2
Molecular weight
333.19
Exact mass
332.016
XLogP
4.44
TPSA
46.38
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
82.57
Supplementary Information
InChIKey: QALFXCYYKRNQPK-UHFFFAOYSA-N
同義語
SCHEMBL10620858QALFXCYYKRNQPK-UHFFFAOYSA-N6-bromo-(2-nitrophenyl)-1,2,3,4-tetrahydroquinoline6-Bromo-1-(2-nitrophenyl)-1,2,3,4-tetrahydroquinoline
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