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Chemical ID: 4220603
Chemical ID:
4220603
Name [?]:
5-[(3-hydroxyphenyl)methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2NC(=O)C(=Cc3cccc(c3)O)S2
InChi [?]:
InChI=1/C16H12N2O2S/c19-13-8-4-5-11(9-13)10-14-15(20)18-16(21-14)17-12-6-2-1-3-7-12/h1-10,19H,(H,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,15,3,5,17,19,13,14,4,18,12,10,8,7,9,20,11,21/E:(2,3)(6,7)/rA:21nCCCCCCNCNCOCCCCCCCCOS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12N2O2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.33893 |
Area: | 483.375 |
Solvation: | -2.74545 |
Coulombic: | -45.6798 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 296.345 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.69 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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