Chemical ID: 7714192

CC(=O)Nc1ccc2nc(cn2c1)c3ccc(cc3)C#N
Chemical ID:
7714192
Name [?]:
None
SMILES [?]:
CC(=O)Nc1ccc2nc(cn2c1)c3ccc(cc3)C#N
InChi [?]:
InChI=1/C16H12N4O/c1-11(21)18-14-6-7-16-19-15(10-20(16)9-14)13-4-2-12(8-17)3-5-13/h2-7,9-10H,1H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,16,18,15,19,6,7,20,13,11,2,17,14,5,10,8,21,4,9,12,3/E:(2,3)(4,5)/rA:21nCCONCCCCNCCNCCCCCCCCN/rB:s1;d2;s2;s4;s5;d6;s7;d8;s9;d10;s8s11;d5s12;s10;s14;d15;s16;d17;d14s18;s17;t20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12N4O
All Atoms:33
Heavy Atoms:21
Chiral Atoms:None
ZAP Information [?]
Total:8.86062
Area:487.129
Solvation:-3.3176
Coulombic:-33.739
Bond Count [?]
All:23
Single:14
Double:8
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.24
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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