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Chemical ID: 7142343
Chemical ID:
7142343
Name [?]:
3-(2,5-dimethylphenyl)-5-[(2-nitrophenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)N2C(=O)C(=Cc3ccccc3[N+](=O)[O-])SC2=S)C
InChi [?]:
InChI=1/C18H14N2O3S2/c1-11-7-8-12(2)15(9-11)19-17(21)16(25-18(19)24)10-13-5-3-4-6-14(13)20(22)23/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,15,16,14,17,3,4,7,12,2,5,13,18,6,11,9,23,8,19,10,20,21,24,22/E:(22,23)/CRV:20.5/rA:25nCCCCCCCNCOCCCCCCCCN+OO-SCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;s11;s8s22;d23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14N2O3S2 |
All Atoms: | 39 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.02959 |
Area: | 551.047 |
Solvation: | -6.74659 |
Coulombic: | -32.3628 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.83 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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