Chemical ID: 4719086

Cc1ccn2cc(nc2c1)C(=O)O
Chemical ID:
4719086
Name [?]:
4-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene-8-carboxylic acid
SMILES [?]:
Cc1ccn2cc(nc2c1)C(=O)O
InChi [?]:
InChI=1/C9H8N2O2/c1-6-2-3-11-5-7(9(12)13)10-8(11)4-6/h2-5H,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,6,2,7,9,11,8,5,12,13/E:(12,13)/rA:13nCCCCNCCNCCCOO/rB:s1;s2;d3;s4;s5;d6;s7;s5d8;d2s9;s7;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8N2O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.32826
Area:334.829
Solvation:-2.04246
Coulombic:-39.1102
Bond Count [?]
All:14
Single:9
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:176.172
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.97
LogP (Chemaxon):1.35

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