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Chemical ID: 6204200
Chemical ID:
6204200
Name [?]:
5-[[5-(3-chloro-4-methyl-phenyl)-2-furyl]methylene]-2-hydroxy-4-methyl-6-oxo-pyridine-3-carbonitrile
SMILES [?]:
Cc1ccc(cc1Cl)c2ccc(o2)C=C3C(=C(C(=NC3=O)O)C#N)C
InChi [?]:
InChI=1/C19H13ClN2O3/c1-10-3-4-12(7-16(10)20)17-6-5-13(25-17)8-14-11(2)15(9-21)19(24)22-18(14)23/h3-8H,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,3,4,11,10,6,14,23,2,16,5,12,15,17,7,9,20,18,8,24,19,21,22,13/rA:25nCCCCCCCClCCCCOCCCCCNCOOCNC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;d11;s9s12;s12;w14;s15;d16;s17;d18;s15s19;d20;s18;s17;t23;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H13ClN2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3988 |
Area: | 550.474 |
Solvation: | -3.36303 |
Coulombic: | -43.9786 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 352.771 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.68 |
LogP (Chemaxon): | 3.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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