Chemical ID: 6836011

Cc1ccn2cc(nc2c1)c3ccc4c(c3)CCCC4
Chemical ID:
6836011
Name [?]:
4-methyl-8-tetralin-2-yl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
Cc1ccn2cc(nc2c1)c3ccc4c(c3)CCCC4
InChi [?]:
InChI=1/C18H18N2/c1-13-8-9-20-12-17(19-18(20)10-13)16-7-6-14-4-2-3-5-15(14)11-16/h6-12H,2-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,17,13,12,3,4,10,16,6,2,14,15,11,7,9,8,5/rA:20nCCCCNCCNCCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s5d8;d2s9;s7;s11;d12;s13;d14;d11s15;s15;s17;s18;s14s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2
All Atoms:38
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.65669
Area:451.57
Solvation:-1.63257
Coulombic:-12.7408
Bond Count [?]
All:23
Single:16
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:262.349
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.76
LogP (Chemaxon):5.11

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Descriptor Annotations

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