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Chemical ID: 7136289
Chemical ID:
7136289
Name [?]:
1-acetyl-3-[3-(2-chlorophenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]-indolin-2-one
SMILES [?]:
CC(=O)N1c2ccccc2C(=C3C(=O)N(C(=S)S3)c4ccccc4Cl)C1=O
InChi [?]:
InChI=1/C19H11ClN2O3S2/c1-10(23)21-13-8-4-2-6-11(13)15(17(21)24)16-18(25)22(19(26)27-16)14-9-5-3-7-12(14)20/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,8,22,7,21,9,23,6,20,2,10,24,5,19,11,12,26,13,16,25,4,15,3,27,14,17,18/rA:27nCCONCCCCCCCCCONCSSCCCCCCClCO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;d13;s13;s15;d16;s12s16;s15;s19;d20;s21;d22;d19s23;s24;s4s11;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H11ClN2O3S2 |
All Atoms: | 38 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6377 |
Area: | 562.481 |
Solvation: | -2.42436 |
Coulombic: | -44.5537 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 414.887 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.89 |
LogP (Chemaxon): | 3.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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