Chemical ID: 7136239

c1cc(cc(c1)Br)C=C2C(=O)NC(=Nc3ccc(cc3)O)S2
Chemical ID:
7136239
Name [?]:
5-[(3-bromophenyl)methylene]-2-(4-hydroxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
c1cc(cc(c1)Br)C=C2C(=O)NC(=Nc3ccc(cc3)O)S2
InChi [?]:
InChI=1/C16H11BrN2O2S/c17-11-3-1-2-10(8-11)9-14-15(21)19-16(22-14)18-12-4-6-13(20)7-5-12/h1-9,20H,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,20,17,19,4,8,3,5,15,18,9,10,13,7,14,12,21,11,22/E:(4,5)(6,7)/rA:22nCCCCCCBrCCCONCNCCCCCCOS/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11BrN2O2S
All Atoms:33
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.88484
Area:504.802
Solvation:-2.73522
Coulombic:-45.4309
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:375.241
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.48
LogP (Chemaxon):4.86

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