Chemical ID: 6729298

c1ccc(cc1)C=CC=C(C#N)C(=O)NCc2ccc[nH+]c2
Chemical ID:
6729298
Name [?]:
2-cyano-5-phenyl-N-(1H-pyridin-5-ylmethyl)penta-2,4-dienamide
SMILES [?]:
c1ccc(cc1)C=CC=C(C#N)C(=O)NCc2ccc[nH+]c2
InChi [?]:
InChI=1/C18H15N3O/c19-12-17(10-4-8-15-6-2-1-3-7-15)18(22)21-14-16-9-5-11-20-13-16/h1-11,13H,14H2,(H,21,22)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,8,19,3,5,7,18,9,20,11,22,16,4,17,10,13,12,21,15,14/E:(2,3)(6,7)/rA:22nCCCCCCCCCCCNCONCCCCCN+C/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;w9;s10;t11;s10;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N3O+
All Atoms:38
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-22.8989
Area:526.019
Solvation:-36.0494
Coulombic:-17.6278
Bond Count [?]
All:23
Single:13
Double:9
Rotors:6
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:290.339
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.07
LogP (Chemaxon):2.38

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Descriptor Annotations

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