Chemical ID: 7221900

Cc1ccccc1OCc2nc3c4ccccc4ncn3n2
Chemical ID:
7221900
Name [?]:
None
SMILES [?]:
Cc1ccccc1OCc2nc3c4ccccc4ncn3n2
InChi [?]:
InChI=1/C17H14N4O/c1-12-6-2-5-9-15(12)22-10-16-19-17-13-7-3-4-8-14(13)18-11-21(17)20-16/h2-9,11H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,15,16,5,3,14,17,6,9,20,2,13,18,7,10,12,19,11,22,21,8/rA:22nCCCCCCCOCCNCCCCCCCNCNN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;s13;d14;s15;d16;d13s17;s18;d19;s12s20;d10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N4O
All Atoms:36
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.3275
Area:488.981
Solvation:-2.89702
Coulombic:-26.7635
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:290.319
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.14
LogP (Chemaxon):4.4

Name Annotations

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Descriptor Annotations

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