Chemical ID: 6204200

Cc1ccc(cc1Cl)c2ccc(o2)C=C3C(=C(C(=NC3=O)O)C#N)C
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

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