Chemical ID: 6508251

c1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(o3)Br)S2)Cl
Chemical ID:
6508251
Name [?]:
5-[(5-bromo-2-furyl)methylene]-2-(2-chlorophenyl)imino-thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(o3)Br)S2)Cl
InChi [?]:
InChI=1/C14H8BrClN2O2S/c15-12-6-5-8(20-12)7-11-13(19)18-14(21-11)17-10-4-2-1-3-9(10)16/h1-7H,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,15,16,13,14,4,5,12,17,10,8,19,21,7,9,11,18,20/rA:21nCCCCCCNCNCOCCCCCCOBrSCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;w12;s13;d14;s15;d16;s14s17;s17;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8BrClN2O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.49626
Area:508.607
Solvation:-3.21892
Coulombic:-35.0167
Bond Count [?]
All:23
Single:15
Double:8
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:383.648
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.22
LogP (Chemaxon):4.25

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