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Chemical ID: 4838217
Chemical ID:
4838217
Name [?]:
2-(2-bromophenyl)imino-5-(3-pyridylmethylene)thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)N=C2NC(=O)C(=Cc3cccnc3)S2)Br
InChi [?]:
InChI=1/C15H10BrN3OS/c16-11-5-1-2-6-12(11)18-15-19-14(20)13(21-15)8-10-4-3-7-17-9-10/h1-9H,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:2,1,16,15,3,6,17,13,19,14,4,5,12,10,8,21,18,7,9,11,20/rA:21nCCCCCCNCNCOCCCCCCNCSBr/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10BrN3OS |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.58123 |
Area: | 491.657 |
Solvation: | -2.7102 |
Coulombic: | -33.3059 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 360.23 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.64 |
LogP (Chemaxon): | 3.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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