Chemical ID: 6720652

C[NH+]1CC(=Cc2cc[nH+]cc2)C(=O)C(=Cc3cc[nH+]cc3)C1
Chemical ID:
6720652
Name [?]:
1-methyl-3,5-bis(1H-pyridin-4-ylmethylene)-2,6-dihydropyridin-4-one
SMILES [?]:
C[NH+]1CC(=Cc2cc[nH+]cc2)C(=O)C(=Cc3cc[nH+]cc3)C1
InChi [?]:
InChI=1/C18H17N3O/c1-21-12-16(10-14-2-6-19-7-3-14)18(22)17(13-21)11-15-4-8-20-9-5-15/h2-11H,12-13H2,1H3/p+3
InChi Info:
AuxInfo=1/1/N:1,7,11,17,21,8,10,18,20,5,15,3,22,6,16,4,14,12,9,19,2,13/E:(2,3,4,5)(6,7,8,9)(10,11)(12,13)(14,15)(16,17)(19,20)/rA:22nCN+CCCCCCN+CCCOCCCCCN+CCC/rB:s1;s2;s3;w4;s5;s6;d7;s8;d9;d6s10;s4;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N3O+3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-155.982
Area:484.878
Solvation:-168.104
Coulombic:114.894
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:294.371
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.89
LogP (Chemaxon):1.14

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Descriptor Annotations

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