Chemical ID: 5715645

c1cc(c(c(c1)Cl)Cl)N=C2N=C(C(=Cc3ccc(cc3)C(=O)O)S2)O
Chemical ID:
5715645
Name [?]:
4-[[2-(2,3-dichlorophenyl)imino-4-hydroxy-thiazol-5-ylidene]methyl]benzoic acid
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)N=C2N=C(C(=Cc3ccc(cc3)C(=O)O)S2)O
InChi [?]:
InChI=1/C17H10Cl2N2O3S/c18-11-2-1-3-12(14(11)19)20-17-21-15(22)13(25-17)8-9-4-6-10(7-5-9)16(23)24/h1-8H,(H,23,24)(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,6,2,16,20,17,19,14,15,18,5,3,13,4,12,21,10,7,8,9,11,25,22,23,24/E:(4,5)(6,7)(23,24)/rA:25nCCCCCCClClNCNCCCCCCCCCCOOSO/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;w9;s10;d11;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s10s13;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H10Cl2N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.7489
Area:575.81
Solvation:-2.64631
Coulombic:-59.8631
Bond Count [?]
All:27
Single:17
Double:10
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:393.244
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.26
LogP (Chemaxon):5.59

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