Chemical ID: 7144356

c1cc([nH]c1)C=C2C(=O)N(C(=O)S2)c3ccc(cc3)O
Chemical ID:
7144356
Name [?]:
3-(4-hydroxyphenyl)-5-(1H-pyrrol-2-ylmethylene)thiazolidine-2,4-dione
SMILES [?]:
c1cc([nH]c1)C=C2C(=O)N(C(=O)S2)c3ccc(cc3)O
InChi [?]:
InChI=1/C14H10N2O3S/c17-11-5-3-10(4-6-11)16-13(18)12(20-14(16)19)8-9-2-1-7-15-9/h1-8,15,17H
InChi Info:
AuxInfo=1/0/N:1,2,15,19,16,18,5,6,3,14,17,7,8,11,4,10,20,9,12,13/E:(3,4)(5,6)/rA:20nCCCNCCCCONCOSCCCCCCO/rB:s1;d2;s3;d1s4;s3;w6;s7;d8;s8;s10;d11;s7s11;s10;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10N2O3S
All Atoms:30
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.10915
Area:457.684
Solvation:-3.33295
Coulombic:-53.6952
Bond Count [?]
All:22
Single:14
Double:8
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:286.307
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.55
LogP (Chemaxon):2.24

Name Annotations

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Descriptor Annotations

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