Chemical ID: 6165514

c1ccc(c(c1)NC2=NC(=O)C(=Cc3cccc(c3)OCC(=O)O)S2)Cl
Chemical ID:
6165514
Name [?]:
2-[3-[[2-(2-chlorophenyl)amino-4-oxo-thiazol-5-ylidene]methyl]phenoxy]acetic acid
SMILES [?]:
c1ccc(c(c1)NC2=NC(=O)C(=Cc3cccc(c3)OCC(=O)O)S2)Cl
InChi [?]:
InChI=1/C18H13ClN2O4S/c19-13-6-1-2-7-14(13)20-18-21-17(24)15(26-18)9-11-4-3-5-12(8-11)25-10-16(22)23/h1-9H,10H2,(H,22,23)(H,20,21,24)
InChi Info:
AuxInfo=1/1/N:2,1,16,15,17,3,6,19,13,21,14,18,4,5,12,22,10,8,26,7,9,23,24,11,20,25/E:(22,23)/rA:26nCCCCCCNCNCOCCCCCCCCOCCOOSCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;s21;d22;s22;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13ClN2O4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.3748
Area:591.993
Solvation:-4.42506
Coulombic:-64.4441
Bond Count [?]
All:28
Single:18
Double:10
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:388.826
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.27
LogP (Chemaxon):4.01

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