Chemical ID: 4956830

c1cc(cc2c1cc(cc2)S(=O)(=O)O)N=Nc3ccc(c(c3)C(=O)O)O
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

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Descriptor Annotations

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