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Chemical ID: 7434316
Chemical ID:
7434316
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c(n2CCN)nc4ccccc4n3
InChi [?]:
InChI=1/C16H14N4/c17-9-10-20-14-8-4-1-5-11(14)15-16(20)19-13-7-3-2-6-12(13)18-15/h1-8H,9-10,17H2
InChi Info:
AuxInfo=1/0/N:1,17,16,2,6,18,15,3,11,10,5,19,14,4,7,8,12,20,13,9/rA:20nCCCCCCCCNCCNNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;s10;s11;d8;s13;s14;d15;s16;d17;d14s18;d7s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14N4 |
All Atoms: | 34 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.44439 |
Area: | 446.059 |
Solvation: | -1.70709 |
Coulombic: | -32.883 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 262.309 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 3.3 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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