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Chemical ID: 4335714

Chemical ID:

4335714

Name [?]:

5-benzylidene-2-(4-hydroxyphenyl)imino-thiazolidin-4-one

SMILES [?]:

c1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(cc3)O)S2

InChi [?]:

InChI=1/C16H12N2O2S/c19-13-8-6-12(7-9-13)17-16-18-15(20)14(21-16)10-11-4-2-1-3-5-11/h1-10,19H,(H,17,18,20)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,15,19,16,18,7,4,14,17,8,9,12,13,11,20,10,21/E:(2,3)(4,5)(6,7)(8,9)/rA:21nCCCCCCCCCONCNCCCCCCOS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₂N₂O₂S
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.21369
Area:	482.999
Solvation:	-2.86128
Coulombic:	-45.3336

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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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value