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Chemical ID: 7140044
Chemical ID:
7140044
Name [?]:
2-(2-bromophenyl)imino-5-[(4-hydroxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(cc3)O)S2)Br
InChi [?]:
InChI=1/C16H11BrN2O2S/c17-12-3-1-2-4-13(12)18-16-19-15(21)14(22-16)9-10-5-7-11(20)8-6-10/h1-9,20H,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,15,19,16,18,13,14,17,4,5,12,10,8,22,7,9,20,11,21/E:(5,6)(7,8)/rA:22nCCCCCCNCNCOCCCCCCCCOSBr/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11BrN2O2S |
All Atoms: | 33 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0024 |
Area: | 510.735 |
Solvation: | -2.76599 |
Coulombic: | -45.809 |
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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