الاسم: tri sulfo pyrido porphine
SMILES:
O=S(=O)(O)c1c(S(=O)(=O)O)c2[nH]c1cc1nc(cc3ccc(cc4nc(c2S(=O)(=O)O)C=C4)[nH]3)-c2ncccc2-1Molecular Processing
Molecular formula
C23H15N5O9S3
Molecular weight
601.6
Exact mass
601.0032
XLogP
2.95
TPSA
233.36
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
3
Heavy atoms
40
Rings
6
Aromatic rings
4
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0
Molar refractivity
141.6
Supplementary Information
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