Chemical ID: 7653727

c1ccc(cc1)CCn2c3c(cn2)c4nc(nn4c(n3)N)c5ccco5
Chemical ID:
7653727
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CCn2c3c(cn2)c4nc(nn4c(n3)N)c5ccco5
InChi [?]:
InChI=1/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,24,3,5,23,7,8,25,12,4,11,22,16,10,14,19,21,13,15,20,17,9,18,26/E:(2,3)(5,6)/rA:26nCCCCCCCCNCCCNCNCNNCNNCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;s9d12;s11;d14;s15;d16;s14s17;s18;s10d19;s19;s16;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15N7O
All Atoms:41
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:10.9333
Area:563.56
Solvation:-3.15575
Coulombic:-48.9365
Bond Count [?]
All:30
Single:20
Double:10
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.14
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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