Chemical ID: 5560535

c1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(c(c3)Cl)O)S2
Chemical ID:
5560535
Name [?]:
5-[(3-chloro-4-hydroxy-phenyl)methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(c(c3)Cl)O)S2
InChi [?]:
InChI=1/C16H11ClN2O2S/c17-12-8-10(6-7-13(12)20)9-14-15(21)19-16(22-14)18-11-4-2-1-3-5-11/h1-9,20H,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,15,16,19,13,14,4,18,17,12,10,8,20,7,9,21,11,22/E:(2,3)(4,5)/rA:22nCCCCCCNCNCOCCCCCCCCClOS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s17;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11ClN2O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.0778
Area:514.464
Solvation:-2.78377
Coulombic:-46.0323
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:330.79
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.31
LogP (Chemaxon):4.59

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