CC1(c2cccc(Br)c2)COCC(N)=N1
Name: (RS)-5-(3-bromo-phenyl)-5-methyl-5,6-dihydro-2H-[1,4]oxazin-3-ylamine
SMILES: CC1(c2cccc(Br)c2)COCC(N)=N1

Molecular Processing

Molecular formula
C11H13BrN2O
Molecular weight
269.14
Exact mass
268.0211
XLogP
2.05
TPSA
47.61
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
63.94

Supplementary Information

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