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Chemical ID: 7140053
Chemical ID:
7140053
Name [?]:
2-(3,4-dichlorophenyl)imino-5-[(4-hydroxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1cc(ccc1C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)Cl)S2)O
InChi [?]:
InChI=1/C16H10Cl2N2O2S/c17-12-6-3-10(8-13(12)18)19-16-20-15(22)14(23-16)7-9-1-4-11(21)5-2-9/h1-8,21H,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,5,15,2,4,16,7,19,6,14,3,17,18,8,9,12,21,20,13,11,23,10,22/E:(1,2)(4,5)/rA:23nCCCCCCCCCONCNCCCCCCClClSO/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s18;s17;s8s12;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10Cl2N2O2S |
All Atoms: | 33 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7254 |
Area: | 544.479 |
Solvation: | -2.88658 |
Coulombic: | -45.5882 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 365.234 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.93 |
LogP (Chemaxon): | 5.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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