Chemical ID: 5275779

c1ccc(cc1)n2c3c(cn2)c4nc(nn4cn3)c5ccco5
Chemical ID:
5275779
Name [?]:
None
SMILES [?]:
c1ccc(cc1)n2c3c(cn2)c4nc(nn4cn3)c5ccco5
InChi [?]:
InChI=1/C16H10N6O/c1-2-5-11(6-3-1)22-15-12(9-18-22)16-19-14(13-7-4-8-23-13)20-21(16)10-17-15/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,6,21,3,5,20,22,10,17,4,9,19,14,8,12,18,11,13,15,16,7,23/E:(2,3)(5,6)/rA:23nCCCCCCNCCCNCNCNNCNCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s9;d12;s13;d14;s12s15;s16;s8d17;s14;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10N6O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.13112
Area:486.863
Solvation:-3.04045
Coulombic:-30.9621
Bond Count [?]
All:27
Single:17
Double:10
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:302.29
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.16
LogP (Chemaxon):2.88

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Descriptor Annotations

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