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Chemical ID: 5280210
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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