Chemical ID: 7143260

c1ccc(c(c1)C(=O)O)NC2=NC(=O)C(=Cc3ccc(cc3Cl)Cl)S2
Chemical ID:
7143260
Name [?]:
2-[5-[(2,4-dichlorophenyl)methylene]-4-oxo-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)O)NC2=NC(=O)C(=Cc3ccc(cc3Cl)Cl)S2
InChi [?]:
InChI=1/C17H10Cl2N2O3S/c18-10-6-5-9(12(19)8-10)7-14-15(22)21-17(25-14)20-13-4-2-1-3-11(13)16(23)24/h1-8H,(H,23,24)(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,18,19,16,21,17,20,5,22,4,15,13,7,11,24,23,10,12,14,8,9,25/E:(23,24)/rA:25nCCCCCCCOONCNCOCCCCCCCCClClS/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;d11;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s22;s20;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H10Cl2N2O3S
All Atoms:35
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:12.1034
Area:577.735
Solvation:-2.33992
Coulombic:-58.7287
Bond Count [?]
All:27
Single:17
Double:10
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.86
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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