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Chemical ID: 7100077
Chemical ID:
7100077
Name [?]:
8-tetralin-2-yl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
c1ccn2cc(nc2c1)c3ccc4c(c3)CCCC4
InChi [?]:
InChI=1/C17H16N2/c1-2-6-14-11-15(9-8-13(14)5-1)16-12-19-10-4-3-7-17(19)18-16/h3-4,7-12H,1-2,5-6H2
InChi Info:
AuxInfo=1/0/N:18,17,1,2,19,16,9,12,11,3,15,5,13,14,10,6,8,7,4/rA:19nCCCNCCNCCCCCCCCCCCC/rB:s1;d2;s3;s4;d5;s6;s4d7;d1s8;s6;s10;d11;s12;d13;d10s14;s14;s16;s17;s13s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16N2 |
All Atoms: | 35 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.17028 |
Area: | 432.59 |
Solvation: | -1.64446 |
Coulombic: | -12.904 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 248.322 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.41 |
LogP (Chemaxon): | 4.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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