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Chemical ID: 4350586
Chemical ID:
4350586
Name [?]:
2-[(4-ethoxyphenyl)methyleneaminoimino]thiazolidin-4-one
SMILES [?]:
CCOc1ccc(cc1)C=NN=C2NC(=O)CS2
InChi [?]:
InChI=1/C12H13N3O2S/c1-2-17-10-5-3-9(4-6-10)7-13-15-12-14-11(16)8-18-12/h3-7H,2,8H2,1H3,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,5,9,10,17,7,4,15,13,11,14,12,16,3,18/E:(3,4)(5,6)/rA:18nCCOCCCCCCCNNCNCOCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;w12;s13;s14;d15;s15;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13N3O2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.97372 |
Area: | 456.917 |
Solvation: | -3.4492 |
Coulombic: | -31.9792 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 263.317 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.65 |
LogP (Chemaxon): | 1.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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