Chemical ID: 7132192

c1ccc(c(c1)C=C2C(=O)N(C(=O)S2)c3cccc(c3)O)[N+](=O)[O-]
Chemical ID:
7132192
Name [?]:
3-(3-hydroxyphenyl)-5-[(2-nitrophenyl)methylene]thiazolidine-2,4-dione
SMILES [?]:
c1ccc(c(c1)C=C2C(=O)N(C(=O)S2)c3cccc(c3)O)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H10N2O5S/c19-12-6-3-5-11(9-12)17-15(20)14(24-16(17)21)8-10-4-1-2-7-13(10)18(22)23/h1-9,19H
InChi Info:
AuxInfo=1/0/N:1,2,17,6,16,18,3,7,20,5,15,19,4,8,9,12,11,22,21,10,13,23,24,14/E:(22,23)/CRV:18.5/rA:24nCCCCCCCCCONCOSCCCCCCON+OO-/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;d12;s8s12;s11;s15;d16;s17;d18;d15s19;s19;s4;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10N2O5S
All Atoms:34
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:4.66577
Area:513.747
Solvation:-8.1779
Coulombic:-56.4864
Bond Count [?]
All:26
Single:16
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:342.327
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.51
LogP (Chemaxon):3.42

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Descriptor Annotations

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