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Chemical ID: 6508251
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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