Chemical ID: 7141186

Cc1ccc(cc1)N=C2NC(=O)C(=Cc3cccc(c3)[N+](=O)[O-])S2
Chemical ID:
7141186
Name [?]:
5-[(3-nitrophenyl)methylene]-2-(p-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)N=C2NC(=O)C(=Cc3cccc(c3)[N+](=O)[O-])S2
InChi [?]:
InChI=1/C17H13N3O3S/c1-11-5-7-13(8-6-11)18-17-19-16(21)15(24-17)10-12-3-2-4-14(9-12)20(22)23/h2-10H,1H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,3,7,4,6,20,14,2,15,5,19,13,11,9,8,10,21,12,22,23,24/E:(5,6)(7,8)(22,23)/CRV:20.5/rA:24nCCCCCCCNCNCOCCCCCCCCN+OO-S/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;d21;s21;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13N3O3S
All Atoms:37
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:5.902
Area:536.274
Solvation:-7.50485
Coulombic:-41.1108
Bond Count [?]
All:26
Single:16
Double:10
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:339.37
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.3
LogP (Chemaxon):4.77

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