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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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Experimental Annotations
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Descriptor Annotations
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