CC(C)CNC1=C2C=CC(=CC2=NC=C1N)Br
이름: 7-bromo-4-N-(2-methylpropyl)quinoline-3,4-diamine
SMILES: CC(C)CNC1=C2C=CC(=CC2=NC=C1N)Br

Molecular Processing

Molecular formula
C13H16BrN3
Molecular weight
294.2
Exact mass
293.0528
XLogP
3.65
TPSA
50.94
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
77.18

Supplementary Information

InChIKey: CTNRHBHMNIJNLX-UHFFFAOYSA-N
동의어
SCHEMBL3862465CTNRHBHMNIJNLX-UHFFFAOYSA-N7-bromo-N4-isobutylquinoline-3,4-diamine7-bromo-N4-(2-methylpropyl)quinoline-3,4-diamine
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