Chemical ID: 6164654

c1ccc(c(c1)N=C2NC(=O)C(=Cc3cc(cc(c3O)Br)Br)S2)Cl
Chemical ID:
6164654
Name [?]:
2-(2-chlorophenyl)imino-5-[(3,5-dibromo-2-hydroxy-phenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)N=C2NC(=O)C(=Cc3cc(cc(c3O)Br)Br)S2)Cl
InChi [?]:
InChI=1/C16H9Br2ClN2O2S/c17-9-5-8(14(22)10(18)7-9)6-13-15(23)21-16(24-13)20-12-4-2-1-3-11(12)19/h1-7,22H,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,15,13,17,14,16,18,4,5,12,19,10,8,22,21,24,7,9,20,11,23/rA:24nCCCCCCNCNCOCCCCCCCCOBrBrSCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s18;s16;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H9Br2ClN2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.553
Area:566.198
Solvation:-2.60195
Coulombic:-45.9025
Bond Count [?]
All:26
Single:17
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:488.582
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.9
LogP (Chemaxon):6.17

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