Chemical ID: 4220603

c1ccc(cc1)N=C2NC(=O)C(=Cc3cccc(c3)O)S2
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue