Chemical ID: 6199058

Cn1ccc(n1)C=C2CCCC(=Cc3ccn(n3)C)C2=O
Chemical ID:
6199058
Name [?]:
2,6-bis[(1-methylpyrazol-3-yl)methylene]cyclohexan-1-one
SMILES [?]:
Cn1ccc(n1)C=C2CCCC(=Cc3ccn(n3)C)C2=O
InChi [?]:
InChI=1/C16H18N4O/c1-19-8-6-14(17-19)10-12-4-3-5-13(16(12)21)11-15-7-9-20(2)18-15/h6-11H,3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,10,9,11,4,15,3,16,7,13,8,12,5,14,20,6,18,2,17,21/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(17,18)(19,20)/rA:21nCNCCCNCCCCCCCCCCNNCCO/rB:s1;s2;d3;s4;s2d5;s5;w7;s8;s9;s10;s11;w12;s13;s14;d15;s16;d14s17;s17;s8s12;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18N4O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.61915
Area:487.228
Solvation:-3.56155
Coulombic:-15.3187
Bond Count [?]
All:23
Single:16
Double:7
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:282.34
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.41
LogP (Chemaxon):2.07

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