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Chemical ID: 5616275
Chemical ID:
5616275
Name [?]:
2-(2-chlorophenyl)imino-5-[(2-hydroxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)C=C2C(=O)NC(=Nc3ccccc3Cl)S2)O
InChi [?]:
InChI=1/C16H11ClN2O2S/c17-11-6-2-3-7-12(11)18-16-19-15(21)14(22-16)9-10-5-1-4-8-13(10)20/h1-9,20H,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,17,16,2,6,18,15,3,7,5,19,14,4,8,9,12,20,13,11,22,10,21/rA:22nCCCCCCCCCONCNCCCCCCClSO/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11ClN2O2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0191 |
Area: | 511.255 |
Solvation: | -2.76226 |
Coulombic: | -46.3276 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 330.79 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.31 |
LogP (Chemaxon): | 4.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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