SMILES:
Clc1cccc(OC2CCNc3ncc(Br)cc32)c1Molecular Processing
Molecular formula
C14H12BrClN2O
Molecular weight
339.62
Exact mass
337.9822
XLogP
4.43
TPSA
34.15
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
79.86
Supplementary Information
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