Chemical ID: 6720656

c1cc(c[nH+]c1)C=C2CCCC(=Cc3ccc[nH+]c3)C2=O
Chemical ID:
6720656
Name [?]:
2,6-bis(1H-pyridin-3-ylmethylene)cyclohexan-1-one
SMILES [?]:
c1cc(c[nH+]c1)C=C2CCCC(=Cc3ccc[nH+]c3)C2=O
InChi [?]:
InChI=1/C18H16N2O/c21-18-16(10-14-4-2-8-19-12-14)6-1-7-17(18)11-15-5-3-9-20-13-15/h2-5,8-13H,1,6-7H2/p+2
InChi Info:
AuxInfo=1/1/N:10,1,16,2,15,9,11,6,17,7,13,4,19,3,14,8,12,20,5,18,21/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(19,20)/rA:21nCCCCN+CCCCCCCCCCCCN+CCO/rB:s1;d2;s3;d4;d1s5;s3;w7;s8;s9;s10;s11;w12;s13;s14;d15;s16;d17;d14s18;s8s12;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O+2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-72.4335
Area:466.879
Solvation:-84.1054
Coulombic:25.8319
Bond Count [?]
All:23
Single:14
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:278.348
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.92
LogP (Chemaxon):2.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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