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Chemical ID: 7140082
Chemical ID:
7140082
Name [?]:
2-(2,3-dichlorophenyl)imino-5-[(3,4-dihydroxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)N=C2NC(=O)C(=Cc3ccc(c(c3)O)O)S2
InChi [?]:
InChI=1/C16H10Cl2N2O3S/c17-9-2-1-3-10(14(9)18)19-16-20-15(23)13(24-16)7-8-4-5-11(21)12(22)6-8/h1-7,21-22H,(H,19,20,23)
InChi Info:
AuxInfo=1/1/N:1,6,2,17,18,21,15,16,5,3,19,20,14,4,12,10,7,8,9,11,23,22,13,24/rA:24nCCCCCCClClNCNCOCCCCCCCCOOS/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10Cl2N2O3S |
All Atoms: | 34 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.69358 |
Area: | 553.065 |
Solvation: | -4.13304 |
Coulombic: | -61.2697 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 381.234 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 3.95 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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