O=C(C1N=COC1c1ccncc1Br)N1CCCC1
SMILES: O=C(C1N=COC1c1ccncc1Br)N1CCCC1

Molecular Processing

Molecular formula
C13H14BrN3O2
Molecular weight
324.18
Exact mass
323.0269
XLogP
1.93
TPSA
54.79
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
73.86

Supplementary Information

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