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Chemical ID: 5871528
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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