SMILES:
ClCCCc1cncn1Cc1ccc(Br)cc1Molecular Processing
Molecular formula
C13H14BrClN2
Molecular weight
313.63
Exact mass
312.0029
XLogP
3.87
TPSA
17.82
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
5
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
74.51
Supplementary Information
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