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Chemical ID: 6467920
Chemical ID:
6467920
Name [?]:
2-chloro-5-[5-[(4-chlorophenyl)methylene]-3-methyl-4-oxo-thiazolidin-2-ylidene]amino-benzoic acid
SMILES [?]:
CN1C(=O)C(=Cc2ccc(cc2)Cl)SC1=Nc3ccc(c(c3)C(=O)O)Cl
InChi [?]:
InChI=1/C18H12Cl2N2O3S/c1-22-16(23)15(8-10-2-4-11(19)5-3-10)26-18(22)21-12-6-7-14(20)13(9-12)17(24)25/h2-9H,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,8,12,9,11,18,19,6,22,7,10,17,21,20,5,3,23,15,13,26,16,2,4,24,25,14/E:(2,3)(4,5)(24,25)/rA:26nCNCOCCCCCCCCClSCNCCCCCCCOOCl/rB:s1;s2;d3;s3;w5;s6;s7;d8;s9;d10;d7s11;s10;s5;s2s14;w15;s16;s17;d18;s19;d20;d17s21;s21;d23;s23;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H12Cl2N2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3989 |
Area: | 579.538 |
Solvation: | -3.08956 |
Coulombic: | -52.3869 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 407.271 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.09 |
LogP (Chemaxon): | 4.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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