Chemical ID: 7144155

c1cc(cc(c1)NC2=NC(=O)C(=CC=Cc3ccco3)S2)C(=O)O
Chemical ID:
7144155
Name [?]:
3-[5-[3-(2-furyl)prop-2-enylidene]-4-oxo-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
c1cc(cc(c1)NC2=NC(=O)C(=CC=Cc3ccco3)S2)C(=O)O
InChi [?]:
InChI=1/C17H12N2O4S/c20-15-14(8-2-6-13-7-3-9-23-13)24-17(19-15)18-12-5-1-4-11(10-12)16(21)22/h1-10H,(H,21,22)(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,14,18,2,6,15,17,13,19,4,3,5,16,12,10,22,8,7,9,11,23,24,20,21/E:(21,22)/rA:24nCCCCCCNCNCOCCCCCCCCOSCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s10;w12;s13;w14;s15;d16;s17;d18;s16s19;s8s12;s3;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12N2O4S
All Atoms:36
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.0043
Area:555.334
Solvation:-3.87909
Coulombic:-63.2929
Bond Count [?]
All:26
Single:16
Double:10
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:340.354
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.94
LogP (Chemaxon):3.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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