Chemical ID: 5280210

Cc1ccc(c(c1)C)n2c3c(cn2)c4nc(nn4cn3)c5cccnc5
Chemical ID:
5280210
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)C)n2c3c(cn2)c4nc(nn4cn3)c5cccnc5
InChi [?]:
InChI=1/C19H15N7/c1-12-5-6-16(13(2)8-12)26-18-15(10-22-26)19-23-17(24-25(19)11-21-18)14-4-3-7-20-9-14/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,23,22,3,4,24,7,26,12,19,2,6,21,11,5,16,10,14,25,20,13,15,17,18,9/rA:26nCCCCCCCCNCCCNCNCNNCNCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s11;d14;s15;d16;s14s17;s18;s10d19;s16;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15N7
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.8082
Area:540.015
Solvation:-2.69215
Coulombic:-27.5082
Bond Count [?]
All:30
Single:19
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:341.37
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.87
LogP (Chemaxon):3.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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