Chemical ID: 7100077

c1ccn2cc(nc2c1)c3ccc4c(c3)CCCC4
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

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Descriptor Annotations

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