Chemical ID: 4626736

c1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3)Cl)SC2=O
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

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Descriptor Annotations

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