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Chemical ID: 7140084
Chemical ID:
7140084
Name [?]:
2-(3,4-dichlorophenyl)imino-5-[(3,4-dihydroxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1cc(c(cc1C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)Cl)S2)O)O
InChi [?]:
InChI=1/C16H10Cl2N2O3S/c17-10-3-2-9(7-11(10)18)19-16-20-15(23)14(24-16)6-8-1-4-12(21)13(22)5-8/h1-7,21-22H,(H,19,20,23)
InChi Info:
AuxInfo=1/1/N:1,15,16,2,5,7,19,6,14,17,18,3,4,8,9,12,21,20,13,11,24,23,10,22/rA:24nCCCCCCCCCONCNCCCCCCClClSOO/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s18;s17;s8s12;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10Cl2N2O3S |
All Atoms: | 34 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.819 |
Area: | 554.981 |
Solvation: | -4.05553 |
Coulombic: | -60.9202 |
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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