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Chemical ID: 5789135
Chemical ID:
5789135
Name [?]:
4-hydroxynaphthalene-2,7-disulfonate
SMILES [?]:
c1cc2c(cc1S(=O)(=O)[O-])cc(cc2O)S(=O)(=O)[O-]
InChi [?]:
InChI=1/C10H8O7S2/c11-10-5-8(19(15,16)17)4-6-3-7(18(12,13)14)1-2-9(6)10/h1-5,11H,(H,12,13,14)(H,15,16,17)/p-2
InChi Info:
AuxInfo=1/1/N:1,2,5,11,13,4,6,12,3,14,15,8,9,10,17,18,19,7,16/E:(12,13,14)(15,16,17)/CRV:18.6,19.6/rA:19nCCCCCCSOOO-CCCCOSOOO-/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s4;d11;s12;s3d13;s14;s12;d16;d16;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H6O7S2-2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -85.9218 |
Area: | 442.941 |
Solvation: | -96.9953 |
Coulombic: | 34.8418 |
Bond Count [?]
All: | 20 |
Single: | 11 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 302.282 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | -0.07 |
LogP (Chemaxon): | 0.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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