Chemical ID: 7430141

Cc1cccc(c1)n2c3c(cn2)c4nc(nn4cn3)c5ccco5
Chemical ID:
7430141
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)n2c3c(cn2)c4nc(nn4cn3)c5ccco5
InChi [?]:
InChI=1/C17H12N6O/c1-11-4-2-5-12(8-11)23-16-13(9-19-23)17-20-15(14-6-3-7-24-14)21-22(17)10-18-16/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,22,3,5,21,23,7,11,18,2,6,10,20,15,9,13,19,12,14,16,17,8,24/rA:24nCCCCCCCNCCCNCNCNNCNCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s10;d13;s14;d15;s13s16;s17;s9d18;s15;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12N6O
All Atoms:36
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.64969
Area:508.03
Solvation:-3.05105
Coulombic:-30.7396
Bond Count [?]
All:28
Single:18
Double:10
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:316.317
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.6
LogP (Chemaxon):3.35

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Experimental Annotations

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Descriptor Annotations

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