Chemical ID: 6480706

c1ccc2c(c1)ncc(n2)c3cc(c(nc3c4ccncc4)O)C#N
Chemical ID:
6480706
Name [?]:
2-hydroxy-6-(4-pyridyl)-5-quinoxalin-2-yl-pyridine-3-carbonitrile
SMILES [?]:
c1ccc2c(c1)ncc(n2)c3cc(c(nc3c4ccncc4)O)C#N
InChi [?]:
InChI=1/C19H11N5O/c20-10-13-9-14(17-11-22-15-3-1-2-4-16(15)23-17)18(24-19(13)25)12-5-7-21-8-6-12/h1-9,11H,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,18,22,19,21,12,24,8,17,13,11,5,4,9,16,14,25,20,7,10,15,23/E:(5,6)(7,8)/rA:25nCCCCCCNCCNCCCCNCCCCNCCOCN/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;d12;s13;d14;d11s15;s16;s17;d18;s19;d20;d17s21;s14;s13;t24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H11N5O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.52642
Area:506.693
Solvation:-4.14089
Coulombic:-40.2168
Bond Count [?]
All:28
Single:16
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:325.324
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.47
LogP (Chemaxon):3.0

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