Chemical ID: 5843252

c1cc(cc(c1)Cl)N2C(=O)C(=Cc3ccc(cc3)C(=O)O)SC2=O
Chemical ID:
5843252
Name [?]:
4-[[3-(3-chlorophenyl)-2,4-dioxo-thiazolidin-5-ylidene]methyl]benzoic acid
SMILES [?]:
c1cc(cc(c1)Cl)N2C(=O)C(=Cc3ccc(cc3)C(=O)O)SC2=O
InChi [?]:
InChI=1/C17H10ClNO4S/c18-12-2-1-3-13(9-12)19-15(20)14(24-17(19)23)8-10-4-6-11(7-5-10)16(21)22/h1-9H,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,6,2,14,18,15,17,12,4,13,16,5,3,11,9,19,23,7,8,10,20,21,24,22/E:(4,5)(6,7)(21,22)/rA:24nCCCCCCClNCOCCCCCCCCCOOSCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s11;s8s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H10ClNO4S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.4291
Area:543.694
Solvation:-3.16325
Coulombic:-56.7167
Bond Count [?]
All:26
Single:16
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:359.784
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.38
LogP (Chemaxon):3.79

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