Chemical ID: 7140073

c1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)O)O)S2)Cl
Chemical ID:
7140073
Name [?]:
2-(2-chlorophenyl)imino-5-[(3,4-dihydroxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)O)O)S2)Cl
InChi [?]:
InChI=1/C16H11ClN2O3S/c17-10-3-1-2-4-11(10)18-16-19-15(22)14(23-16)8-9-5-6-12(20)13(21)7-9/h1-8,20-21H,(H,18,19,22)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,15,16,19,13,14,4,5,17,18,12,10,8,23,7,9,21,20,11,22/rA:23nCCCCCCNCNCOCCCCCCCCOOSCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s17;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11ClN2O3S
All Atoms:34
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.17149
Area:528.898
Solvation:-4.05095
Coulombic:-61.4358
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:346.789
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:3.33
LogP (Chemaxon):4.3

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