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Chemical ID: 5715645
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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