SMILES:
O=C1NC(=O)c2ccc(Br)cc2C1=CNc1ccc2c(c1)CCN2Molecular Processing
Molecular formula
C18H14BrN3O2
Molecular weight
384.23
Exact mass
383.0269
XLogP
3.14
TPSA
70.23
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
96.85
Supplementary Information
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