Cn1ccc2c3c(ccc21)C(c1cncc(Br)c1)C(C#N)=C(N)O3
SMILES: Cn1ccc2c3c(ccc21)C(c1cncc(Br)c1)C(C#N)=C(N)O3

Molecular Processing

Molecular formula
C18H13BrN4O
Molecular weight
381.23
Exact mass
380.0273
XLogP
3.55
TPSA
76.86
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
24
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
94.15

Supplementary Information

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