Chemical ID: 7174530

Cn1c2c(cn1)c3nc(nn3cn2)Cn4c5ccccc5c6c4CCCC6
Chemical ID:
7174530
Name [?]:
None
SMILES [?]:
Cn1c2c(cn1)c3nc(nn3cn2)Cn4c5ccccc5c6c4CCCC6
InChi [?]:
InChI=1/C20H19N7/c1-25-19-15(10-22-25)20-23-18(24-27(20)12-21-19)11-26-16-8-4-2-6-13(16)14-7-3-5-9-17(14)26/h2,4,6,8,10,12H,3,5,7,9,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,26,18,25,20,27,17,24,5,14,12,21,22,4,16,23,9,3,7,13,6,8,10,2,15,11/rA:27nCNCCCNCNCNNCNCNCCCCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s4;d7;s8;d9;s7s10;s11;s3d12;s9;s14;s15;s16;d17;s18;d19;d16s20;s21;s15d22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19N7
All Atoms:46
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.7959
Area:546.794
Solvation:-2.87392
Coulombic:-27.8821
Bond Count [?]
All:32
Single:23
Double:9
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:357.412
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.88
LogP (Chemaxon):4.38

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Descriptor Annotations

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