Chemical ID: 5573193

c1ccc2c(c1)ccc(c2N=Nc3ccc(cc3)S(=O)(=O)[O-])O
Chemical ID:
5573193
Name [?]:
4-[(2-hydroxy-1-naphthyl)azo]benzenesulfonate
SMILES [?]:
c1ccc2c(c1)ccc(c2N=Nc3ccc(cc3)S(=O)(=O)[O-])O
InChi [?]:
InChI=1/C16H12N2O4S/c19-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)23(20,21)22/h1-10,19H,(H,20,21,22)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,14,18,15,17,8,5,13,16,4,9,10,12,11,23,20,21,22,19/E:(6,7)(8,9)(20,21,22)/CRV:23.6/rA:23nCCCCCCCCCCNNCCCCCCSOOO-O/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;w11;s12;s13;d14;s15;d16;d13s17;s16;d19;d19;s19;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11N2O4S-
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-30.0327
Area:476.601
Solvation:-41.9477
Coulombic:-4.39614
Bond Count [?]
All:25
Single:14
Double:11
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:327.336
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.53
LogP (Chemaxon):3.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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