SMILES:
CCC(CC)COC(C(=O)N(C)CC[NH+](C)C)(c1ccccc1)c1ccccc1.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1.[Cl-]Molecular Processing
Molecular formula
C70H113ClN2O4
Molecular weight
1082.14
Exact mass
1080.8389
XLogP
13.74
TPSA
60.28
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
31
Heavy atoms
77
Rings
6
Aromatic rings
2
Saturated rings
3
Aliphatic rings
4
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
3
Fraction Csp3
0.714
Molar refractivity
321.29
Supplementary Information
상세 정보 불러오는 중…
1개 반응에 참여→