Chemical ID: 4727184

c1cc2c(cc1C=O)non2
Chemical ID:
4727184
Name [?]:
8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraene-4-carbaldehyde
SMILES [?]:
c1cc2c(cc1C=O)non2
InChi [?]:
InChI=1/C7H4N2O2/c10-4-5-1-2-6-7(3-5)9-11-8-6/h1-4H
InChi Info:
AuxInfo=1/0/N:1,2,5,7,6,3,4,11,9,8,10/rA:11nCCCCCCCONON/rB:d1;s2;s3;s4;s1d5;s6;d7;d4;s9;d3s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H4N2O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:4.41592
Area:293.878
Solvation:-2.93102
Coulombic:-8.91632
Bond Count [?]
All:12
Single:7
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:148.119
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.47
LogP (Chemaxon):1.35

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