Chemical ID: 5630462

c1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)[N+](=O)[O-])O)S2)Cl
Chemical ID:
5630462
Name [?]:
2-(2-chlorophenyl)imino-5-[(4-hydroxy-3-nitro-phenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)[N+](=O)[O-])O)S2)Cl
InChi [?]:
InChI=1/C16H10ClN3O4S/c17-10-3-1-2-4-11(10)18-16-19-15(22)14(25-16)8-9-5-6-13(21)12(7-9)20(23)24/h1-8,21H,(H,18,19,22)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,15,16,19,13,14,4,5,18,17,12,10,8,25,7,9,20,23,11,21,22,24/E:(23,24)/CRV:20.5/rA:25nCCCCCCNCNCOCCCCCCCCN+OO-OSCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;d20;s20;s17;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10ClN3O4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:4.38339
Area:557.938
Solvation:-9.56506
Coulombic:-55.3221
Bond Count [?]
All:27
Single:17
Double:10
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:375.787
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.72
LogP (Chemaxon):4.54

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