Chemical ID: 4676498

Cc1ccc(cc1)N2C(=O)C(=Cc3ccccc3OCC(=O)O)SC2=O
Chemical ID:
4676498
Name [?]:
2-[2-[[2,4-dioxo-3-(p-tolyl)thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
SMILES [?]:
Cc1ccc(cc1)N2C(=O)C(=Cc3ccccc3OCC(=O)O)SC2=O
InChi [?]:
InChI=1/C19H15NO5S/c1-12-6-8-14(9-7-12)20-18(23)16(26-19(20)24)10-13-4-2-3-5-15(13)25-11-17(21)22/h2-10H,11H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,15,16,14,17,3,7,4,6,12,20,2,13,5,18,11,21,9,25,8,22,23,10,26,19,24/E:(6,7)(8,9)(21,22)/rA:26nCCCCCCCNCOCCCCCCCCOCCOOSCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s19;s20;d21;s21;s11;s8s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15NO5S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.544
Area:572.522
Solvation:-4.76906
Coulombic:-62.8543
Bond Count [?]
All:28
Single:18
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:369.392
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.88
LogP (Chemaxon):3.51

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