Chemical ID: 4630080

Cc1ccc(cc1)c2cn3ccc(cc3n2)C
Chemical ID:
4630080
Name [?]:
4-methyl-8-(p-tolyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
Cc1ccc(cc1)c2cn3ccc(cc3n2)C
InChi [?]:
InChI=1/C15H14N2/c1-11-3-5-13(6-4-11)14-10-17-8-7-12(2)9-15(17)16-14/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,3,7,4,6,12,11,14,9,2,13,5,8,15,16,10/E:(3,4)(5,6)/rA:17nCCCCCCCCCNCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;d11;s12;d13;s10s14;s8d15;s13;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14N2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.64942
Area:411.07
Solvation:-1.62732
Coulombic:-12.6824
Bond Count [?]
All:19
Single:12
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:222.285
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.73
LogP (Chemaxon):4.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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