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Chemical ID: 4956830
Chemical ID:
4956830
Name [?]:
2-hydroxy-5-[(6-sulfo-2-naphthyl)azo]benzoic acid
SMILES [?]:
c1cc(cc2c1cc(cc2)S(=O)(=O)O)N=Nc3ccc(c(c3)C(=O)O)O
InChi [?]:
InChI=1/C17H12N2O6S/c20-16-6-4-13(9-15(16)17(21)22)19-18-12-3-1-11-8-14(26(23,24)25)5-2-10(11)7-12/h1-9,20H,(H,21,22)(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,10,2,18,9,19,4,7,22,5,6,3,17,8,21,20,23,15,16,26,24,25,12,13,14,11/E:(21,22)(23,24,25)/CRV:26.6/rA:26nCCCCCCCCCCSOOONNCCCCCCCOOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s5d9;s8;d11;d11;s11;s3;w15;s16;s17;d18;s19;d20;d17s21;s21;d23;s23;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12N2O6S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.13622 |
Area: | 520.798 |
Solvation: | -4.88373 |
Coulombic: | -61.9272 |
Bond Count [?]
All: | 28 |
Single: | 16 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 372.353 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 8 |
XLogP: | 4.34 |
LogP (Chemaxon): | 4.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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