Chemical ID: 5445465

c1cc(cc(c1)N(=O)=O)C=C2C(=O)NC(=O)S2
Chemical ID:
5445465
Name [?]:
5-[(3-nitrophenyl)methylene]thiazolidine-2,4-dione
SMILES [?]:
c1cc(cc(c1)N(=O)=O)C=C2C(=O)NC(=O)S2
InChi [?]:
InChI=1/C10H6N2O4S/c13-9-8(17-10(14)11-9)5-6-2-1-3-7(4-6)12(15)16/h1-5H,(H,11,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,10,3,5,11,12,15,14,7,13,16,8,9,17/E:(15,16)/CRV:12.5/rA:17nCCCCCCNOOCCCONCOS/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s3;w10;s11;d12;s12;s14;d15;s11s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H6N2O4S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:2.51388
Area:407.993
Solvation:-7.68594
Coulombic:-43.2118
Bond Count [?]
All:18
Single:10
Double:8
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:250.232
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.33
LogP (Chemaxon):1.78

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Descriptor Annotations

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