Chemical ID: 5786070

Cc1cc(c(c(=O)n1CC(=O)c2ccccc2)C#N)COC
Chemical ID:
5786070
Name [?]:
4-(methoxymethyl)-6-methyl-2-oxo-1-phenacyl-pyridine-3-carbonitrile
SMILES [?]:
Cc1cc(c(c(=O)n1CC(=O)c2ccccc2)C#N)COC
InChi [?]:
InChI=1/C17H16N2O3/c1-12-8-14(11-22-2)15(9-18)17(21)19(12)10-16(20)13-6-4-3-5-7-13/h3-8H,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,15,14,16,13,17,3,18,9,20,2,12,4,5,10,6,19,8,11,7,21/E:(4,5)(6,7)/rA:22nCCCCCCONCCOCCCCCCCNCOC/rB:s1;d2;s3;d4;s5;d6;s2s6;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s5;t18;s4;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.22467
Area:495.982
Solvation:-5.17488
Coulombic:-35.1079
Bond Count [?]
All:23
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:296.321
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.86
LogP (Chemaxon):1.43

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Descriptor Annotations

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