Chemical ID: 5871528

c1cc2c(cc1N)OCC(=O)N2
Chemical ID:
5871528
Name [?]:
8-amino-5-oxa-2-azabicyclo[4.4.0]deca-6,8,10-trien-3-one
SMILES [?]:
c1cc2c(cc1N)OCC(=O)N2
InChi [?]:
InChI=1/C8H8N2O2/c9-5-1-2-6-7(3-5)12-4-8(11)10-6/h1-3H,4,9H2,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,5,9,6,3,4,10,7,12,11,8/rA:12nCCCCCCNOCCON/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;s9;d10;s3s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N2O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.26221
Area:310.042
Solvation:-2.48885
Coulombic:-44.9641
Bond Count [?]
All:13
Single:9
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:164.161
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:-0.16
LogP (Chemaxon):0.05

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Descriptor Annotations

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