SMILES:
CC(=O)NCCNC(=O)c1ccncc1Nc1ccc(I)cc1ClMolecular Processing
Molecular formula
C16H16ClIN4O2
Molecular weight
458.69
Exact mass
458.0007
XLogP
2.95
TPSA
83.12
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
102.71
Supplementary Information
상세 정보 불러오는 중…
3개 반응에 참여→