이름: 7-Bromo-2-tert-butyl-5-methyl-6-(3-nitrophenyl)-1,3-benzoxazole-4-carbonitrile
SMILES:
Cc1c(-c2cccc([N+](=O)[O-])c2)c(Br)c2oc(C(C)(C)C)nc2c1C#NMolecular Processing
Molecular formula
C19H16BrN3O3
Molecular weight
414.26
Exact mass
413.0375
XLogP
5.64
TPSA
92.96
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
101.95
Supplementary Information
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