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Chemical ID: 5573193
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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