SMILES:
COc1ccc(CCNc2cc(OCc3ccccc3OC)nc(O)n2)cc1.ClMolecular Processing
Molecular formula
C21H24ClN3O4
Molecular weight
417.89
Exact mass
417.1455
XLogP
3.85
TPSA
85.73
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.238
Molar refractivity
113.46
Supplementary Information
상세 정보 불러오는 중…
2개 반응에 참여→