SMILES:
OC1CCc2cccc(Nc3nc4cc(Br)ccc4[nH]3)c2C1Molecular Processing
Molecular formula
C17H16BrN3O
Molecular weight
358.24
Exact mass
357.0477
XLogP
3.92
TPSA
60.94
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
91.55
Supplementary Information
상세 정보 불러오는 중…
2개 반응에 참여→