Chemical ID: 6472685

c1ccc(cc1)c2cc([nH]c(=O)c2C#N)c3cc(ccc3O)Br
Chemical ID:
6472685
Name [?]:
6-(5-bromo-2-hydroxy-phenyl)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile
SMILES [?]:
c1ccc(cc1)c2cc([nH]c(=O)c2C#N)c3cc(ccc3O)Br
InChi [?]:
InChI=1/C18H11BrN2O2/c19-12-6-7-17(22)14(8-12)16-9-13(11-4-2-1-3-5-11)15(10-20)18(23)21-16/h1-9,22H,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,19,20,17,8,14,4,18,7,16,13,9,21,11,23,15,10,22,12/E:(2,3)(4,5)/rA:23nCCCCCCCCCNCOCCNCCCCCCOBr/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;d11;d7s11;s13;t14;s9;s16;d17;s18;d19;d16s20;s21;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H11BrN2O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.55529
Area:513.837
Solvation:-3.29063
Coulombic:-41.8977
Bond Count [?]
All:25
Single:15
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:367.196
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.73
LogP (Chemaxon):4.0

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