Chemical ID: 4785212

Cc1c2c(onc2c(=O)[nH]n1)C
Chemical ID:
4785212
Name [?]:
2,9-dimethyl-8-oxa-3,4,7-triazabicyclo[4.3.0]nona-2,6,9-trien-5-one
SMILES [?]:
Cc1c2c(onc2c(=O)[nH]n1)C
InChi [?]:
InChI=1/C7H7N3O2/c1-3-5-4(2)12-10-6(5)7(11)9-8-3/h1-2H3,(H,9,11)
InChi Info:
AuxInfo=1/1/N:1,12,2,4,3,7,8,11,10,6,9,5/rA:12nCCCCONCCONNC/rB:s1;s2;d3;s4;s5;s3d6;s7;d8;s8;d2s10;s4;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H7N3O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.10021
Area:309.786
Solvation:-2.64445
Coulombic:-22.5629
Bond Count [?]
All:13
Single:9
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:165.15
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.91
LogP (Chemaxon):-0.05

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