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Chemical ID: 7434318
Chemical ID:
7434318
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c(n2CCCN)nc4ccccc4n3
InChi [?]:
InChI=1/C17H16N4/c18-10-5-11-21-15-9-4-1-6-12(15)16-17(21)20-14-8-3-2-7-13(14)19-16/h1-4,6-9H,5,10-11,18H2
InChi Info:
AuxInfo=1/0/N:1,18,17,2,11,6,19,16,3,12,10,5,20,15,4,7,8,13,21,14,9/rA:21nCCCCCCCCNCCCNNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;s10;s11;s12;d8;s14;s15;d16;s17;d18;d15s19;d7s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16N4 |
All Atoms: | 37 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.94389 |
Area: | 472.522 |
Solvation: | -1.86916 |
Coulombic: | -32.742 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 276.336 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 3.66 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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