Chemical ID: 4941411

c1ccc(cc1)N=Nc2c3ccc(cc3ccc2O)S(=O)(=O)O
Chemical ID:
4941411
Name [?]:
6-hydroxy-5-phenylazo-naphthalene-2-sulfonic acid
SMILES [?]:
c1ccc(cc1)N=Nc2c3ccc(cc3ccc2O)S(=O)(=O)O
InChi [?]:
InChI=1/C16H12N2O4S/c19-15-9-6-11-10-13(23(20,21)22)7-8-14(11)16(15)18-17-12-4-2-1-3-5-12/h1-10,19H,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,16,12,11,17,14,15,4,13,10,18,9,7,8,19,21,22,23,20/E:(2,3)(4,5)(20,21,22)/CRV:23.6/rA:23nCCCCCCNNCCCCCCCCCCOSOOO/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;s10;d11;s12;d13;d10s14;s15;d16;d9s17;s18;s13;d20;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12N2O4S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.60363
Area:478.862
Solvation:-3.36792
Coulombic:-37.3293
Bond Count [?]
All:25
Single:14
Double:11
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:328.344
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.53
LogP (Chemaxon):3.87

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