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Chemical ID: 7140767
Chemical ID:
7140767
Name [?]:
2-(2,3-dichlorophenyl)imino-5-[(5-methyl-2-furyl)methylene]thiazolidin-4-one
SMILES [?]:
Cc1ccc(o1)C=C2C(=O)NC(=Nc3cccc(c3Cl)Cl)S2
InChi [?]:
InChI=1/C15H10Cl2N2O2S/c1-8-5-6-9(21-8)7-12-14(20)19-15(22-12)18-11-4-2-3-10(16)13(11)17/h2-7H,1H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,16,17,15,3,4,7,2,5,18,14,8,19,9,12,21,20,13,11,10,6,22/rA:22nCCCCCOCCCONCNCCCCCCClClS/rB:s1;d2;s3;d4;s2s5;s5;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s18;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10Cl2N2O2S |
All Atoms: | 32 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.51384 |
Area: | 520.082 |
Solvation: | -3.48821 |
Coulombic: | -33.564 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 353.224 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.27 |
LogP (Chemaxon): | 4.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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