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Chemical ID: 7143135

Cc1ccc(c(c1)[N+](=O)[O-])c2ccc(o2)C=C3C(=O)N=C(S3)Nc4ccccc4C(=O)O

Chemical ID:

7143135

Name [?]:

2-[5-[[5-(4-methyl-2-nitro-phenyl)-2-furyl]methylene]-4-oxo-thiazol-2-yl]aminobenzoic acid

SMILES [?]:

Cc1ccc(c(c1)[N+](=O)[O-])c2ccc(o2)C=C3C(=O)N=C(S3)Nc4ccccc4C(=O)O

InChi [?]:

InChI=1/C22H15N3O6S/c1-12-6-8-15(17(10-12)25(29)30)18-9-7-13(31-18)11-19-20(26)24-22(32-19)23-16-5-3-2-4-14(16)21(27)28/h2-11H,1H3,(H,27,28)(H,23,24,26)

InChi Info:

AuxInfo=1/1/N:1,27,26,28,25,3,13,4,12,7,16,2,14,29,5,24,6,11,17,18,30,21,23,20,8,19,31,32,9,10,15,22/E:(27,28)(29,30)/CRV:25.5/rA:32nCCCCCCCN+OO-CCCCOCCCONCSNCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5;d11;s12;d13;s11s14;s14;w16;s17;d18;s18;d20;s17s21;s21;s23;s24;d25;s26;d27;d24s28;s29;d30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₅N₃O₆S
All Atoms:	47
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	6.1451
Area:	637.353
Solvation:	-9.78873
Coulombic:	-70.0399

Bond Count [?]

All:	35
Single:	22
Double:	13
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.47
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value