Chemical ID: 4829826

Cc1ccc(cc1)N2C(=O)c3cccnc3C2=O
Chemical ID:
4829826
Name [?]:
8-(p-tolyl)-5,8-diazabicyclo[4.3.0]nona-2,4,10-triene-7,9-dione
SMILES [?]:
Cc1ccc(cc1)N2C(=O)c3cccnc3C2=O
InChi [?]:
InChI=1/C14H10N2O2/c1-9-4-6-10(7-5-9)16-13(17)11-3-2-8-15-12(11)14(16)18/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,3,7,4,6,14,2,5,11,16,9,17,15,8,10,18/E:(4,5)(6,7)/rA:18nCCCCCCCNCOCCCCNCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s8s16;d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10N2O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.83303
Area:401.049
Solvation:-2.1932
Coulombic:-32.5574
Bond Count [?]
All:20
Single:12
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:238.241
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.97
LogP (Chemaxon):1.86

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