CCC(C(=O)[O-])C1CN=C(c2cc3cc(Oc4ccc(S(C)(=O)=O)cn4)cc(OC4CCOCC4)c3[nH]2)S1
SMILES: CCC(C(=O)[O-])C1CN=C(c2cc3cc(Oc4ccc(S(C)(=O)=O)cn4)cc(OC4CCOCC4)c3[nH]2)S1

Molecular Processing

Molecular formula
C26H28N3O7S2-
Molecular weight
558.66
Exact mass
558.1374
XLogP
2.95
TPSA
143
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
-1
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
141.76

Supplementary Information

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