Chemical ID: 6523245

c1ccc2c(c1)ccc(c2O)N=Nc3c4ccccc4c(cc3O)S(=O)(=O)[O-]
Chemical ID:
6523245
Name [?]:
3-hydroxy-4-[(1-hydroxy-2-naphthyl)azo]naphthalene-1-sulfonate
SMILES [?]:
c1ccc2c(c1)ccc(c2O)N=Nc3c4ccccc4c(cc3O)S(=O)(=O)[O-]
InChi [?]:
InChI=1/C20H14N2O5S/c23-17-11-18(28(25,26)27)14-7-3-4-8-15(14)19(17)22-21-16-10-9-12-5-1-2-6-13(12)20(16)24/h1-11,23-24H,(H,25,26,27)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,18,17,6,3,19,16,7,8,22,5,4,20,15,9,23,21,14,10,12,13,24,11,26,27,28,25/E:(25,26,27)/CRV:28.6/rA:28nCCCCCCCCCCONNCCCCCCCCCCOSOOO-/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s9;w12;s13;s14;s15;d16;s17;d18;d15s19;s20;d21;d14s22;s23;s21;d25;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H13N2O5S-
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:-26.1691
Area:536.045
Solvation:-39.5702
Coulombic:-23.9583
Bond Count [?]
All:31
Single:18
Double:13
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:393.394
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.96
LogP (Chemaxon):4.59

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Descriptor Annotations

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