Chemical ID: 4223130

c1ccc2c(c1)nc3c(n2)-c4c(non4)CC3
Chemical ID:
4223130
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nc3c(n2)-c4c(non4)CC3
InChi [?]:
InChI=1/C12H8N4O/c1-2-4-8-7(3-1)13-9-5-6-10-12(11(9)14-8)16-17-15-10/h1-4H,5-6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,17,16,5,4,8,12,9,11,7,10,13,15,14/rA:17nCCCCCCNCCNCCNONCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;d12;s13;d11s14;s12;s8s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8N4O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.24131
Area:372.681
Solvation:-2.07572
Coulombic:-13.0639
Bond Count [?]
All:20
Single:13
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:224.218
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.39
LogP (Chemaxon):1.83

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Descriptor Annotations

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