Chemical ID: 6474584

Cc1cccc(c1)n2c3nc4ccccc4n3c(n2)C(=O)C
Chemical ID:
6474584
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)n2c3nc4ccccc4n3c(n2)C(=O)C
InChi [?]:
InChI=1/C17H14N4O/c1-11-6-5-7-13(10-11)21-17-18-14-8-3-4-9-15(14)20(17)16(19-21)12(2)22/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,13,14,4,3,5,12,15,7,2,20,6,11,16,18,9,10,19,17,8,21/rA:22nCCCCCCCNCNCCCCCCNCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s17;s8d18;s18;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N4O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.94271
Area:474.973
Solvation:-1.93162
Coulombic:-29.9759
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:290.319
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.84
LogP (Chemaxon):3.39

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Descriptor Annotations

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