CC1=CC(=C(C=C1)N2CCC3=C2C=CC(=C3)Br)[N+](=O)[O-]
名称: 5-bromo-1-(4-methyl-2-nitrophenyl)-2,3-dihydroindole
SMILES: CC1=CC(=C(C=C1)N2CCC3=C2C=CC(=C3)Br)[N+](=O)[O-]

Molecular Processing

Molecular formula
C15H13BrN2O2
Molecular weight
333.19
Exact mass
332.016
XLogP
4.36
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
82.69

Supplementary Information

InChIKey: BXRSKPQHEDMNNG-UHFFFAOYSA-N
同義語
SCHEMBL10620861BXRSKPQHEDMNNG-UHFFFAOYSA-N4-(5-bromo-1-indolinyl)-3-nitrotoluene
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