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Chemical ID: 7140073
Chemical ID:
7140073
Name [?]:
2-(2-chlorophenyl)imino-5-[(3,4-dihydroxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)O)O)S2)Cl
InChi [?]:
InChI=1/C16H11ClN2O3S/c17-10-3-1-2-4-11(10)18-16-19-15(22)14(23-16)8-9-5-6-12(20)13(21)7-9/h1-8,20-21H,(H,18,19,22)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,15,16,19,13,14,4,5,17,18,12,10,8,23,7,9,21,20,11,22/rA:23nCCCCCCNCNCOCCCCCCCCOOSCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s17;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11ClN2O3S |
All Atoms: | 34 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.17149 |
Area: | 528.898 |
Solvation: | -4.05095 |
Coulombic: | -61.4358 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 346.789 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 3.33 |
LogP (Chemaxon): | 4.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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