SMILES:
CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc2CC1CMolecular Processing
Molecular formula
C18H16BrN3O3
Molecular weight
402.25
Exact mass
401.0375
XLogP
3.9
TPSA
75.81
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
98.56
Supplementary Information
상세 정보 불러오는 중…
2개 반응에 참여→