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Chemical ID: 4333855
Chemical ID:
4333855
Name [?]:
5-cinnamylidene-2-(4-hydroxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)C=CC=C2C(=O)NC(=Nc3ccc(cc3)O)S2
InChi [?]:
InChI=1/C18H14N2O2S/c21-15-11-9-14(10-12-15)19-18-20-17(22)16(23-18)8-4-7-13-5-2-1-3-6-13/h1-12,21H,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,3,5,7,9,17,21,18,20,4,16,19,10,11,14,15,13,22,12,23/E:(2,3)(5,6)(9,10)(11,12)/rA:23nCCCCCCCCCCCONCNCCCCCCOS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14N2O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5686 |
Area: | 532.995 |
Solvation: | -2.75625 |
Coulombic: | -46.6917 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 3 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 322.382 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.17 |
LogP (Chemaxon): | 4.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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