Chemical ID: 4220587

c1ccc(cc1)N=C2NC(=O)C(=Cc3cccc(c3)Cl)S2
Chemical ID:
4220587
Name [?]:
5-[(3-chlorophenyl)methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2NC(=O)C(=Cc3cccc(c3)Cl)S2
InChi [?]:
InChI=1/C16H11ClN2OS/c17-12-6-4-5-11(9-12)10-14-15(20)19-16(21-14)18-13-7-2-1-3-8-13/h1-10H,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,15,17,3,5,19,13,14,18,4,12,10,8,20,7,9,11,21/E:(2,3)(7,8)/rA:21nCCCCCCNCNCOCCCCCCCCClS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11ClN2OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.7249
Area:501.583
Solvation:-1.81464
Coulombic:-30.8282
Bond Count [?]
All:23
Single:14
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:314.79
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.71
LogP (Chemaxon):4.87

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Descriptor Annotations

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