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Chemical ID: 6164640
Chemical ID:
6164640
Name [?]:
2-(2-chlorophenyl)imino-5-[(3-nitrophenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)N=C2NC(=O)C(=Cc3cccc(c3)[N+](=O)[O-])S2)Cl
InChi [?]:
InChI=1/C16H10ClN3O3S/c17-12-6-1-2-7-13(12)18-16-19-15(21)14(24-16)9-10-4-3-5-11(8-10)20(22)23/h1-9H,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:2,1,16,15,17,3,6,19,13,14,18,4,5,12,10,8,24,7,9,20,11,21,22,23/E:(22,23)/CRV:20.5/rA:24nCCCCCCNCNCOCCCCCCCCN+OO-SCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;d20;s20;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10ClN3O3S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.58064 |
Area: | 547.757 |
Solvation: | -7.11329 |
Coulombic: | -41.9895 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 359.788 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.48 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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