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Chemical ID: 4626736
Chemical ID:
4626736
Name [?]:
5-[(4-chlorophenyl)methylene]-3-phenyl-thiazolidine-2,4-dione
SMILES [?]:
c1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3)Cl)SC2=O
InChi [?]:
InChI=1/C16H10ClNO2S/c17-12-8-6-11(7-9-12)10-14-15(19)18(16(20)21-14)13-4-2-1-3-5-13/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,13,17,14,16,11,12,15,4,10,8,20,18,7,9,21,19/E:(2,3)(4,5)(6,7)(8,9)/rA:21nCCCCCCNCOCCCCCCCCClSCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s15;s10;s7s19;d20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10ClNO2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.95615 |
Area: | 490.437 |
Solvation: | -2.30476 |
Coulombic: | -30.213 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 315.775 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.76 |
LogP (Chemaxon): | 4.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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