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Chemical ID: 7139861
Chemical ID:
7139861
Name [?]:
5-[1-(4-aminophenyl)ethylidene]-3-phenyl-2-thioxo-thiazolidin-4-one
SMILES [?]:
CC(=C1C(=O)N(C(=S)S1)c2ccccc2)c3ccc(cc3)N
InChi [?]:
InChI=1/C17H14N2OS2/c1-11(12-7-9-13(18)10-8-12)15-16(20)19(17(21)22-15)14-5-3-2-4-6-14/h2-10H,18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,15,17,21,18,20,2,16,19,10,3,4,7,22,6,5,8,9/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCCCCONCSSCCCCCCCCCCCCN/rB:s1;w2;s3;d4;s4;s6;d7;s3s7;s6;s10;d11;s12;d13;d10s14;s2;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14N2OS2 |
All Atoms: | 36 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7353 |
Area: | 507.713 |
Solvation: | -1.95754 |
Coulombic: | -36.5635 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 326.438 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.72 |
LogP (Chemaxon): | 3.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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