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Chemical ID: 6332379
Chemical ID:
6332379
Name [?]:
3-[3-(4-chlorophenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]-1-vinyl-indolin-2-one
SMILES [?]:
C=CN1c2ccccc2C(=C3C(=O)N(C(=S)S3)c4ccc(cc4)Cl)C1=O
InChi [?]:
InChI=1/C19H11ClN2O2S2/c1-2-21-14-6-4-3-5-13(14)15(17(21)23)16-18(24)22(19(25)26-16)12-9-7-11(20)8-10-12/h2-10H,1H2
InChi Info:
AuxInfo=1/0/N:1,2,7,6,8,5,20,22,19,23,21,18,9,4,10,11,25,12,15,24,3,14,26,13,16,17/E:(7,8)(9,10)/rA:26nCCNCCCCCCCCCONCSSCCCCCCClCO/rB:d1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;d12;s12;s14;d15;s11s15;s14;s18;d19;s20;d21;d18s22;s21;s3s10;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H11ClN2O2S2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1325 |
Area: | 568.313 |
Solvation: | -2.0753 |
Coulombic: | -36.7374 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 398.888 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.48 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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