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Chemical ID: 4259860
Chemical ID:
4259860
Name [?]:
2-oxa-5,7-diazabicyclo[4.4.0]deca-6,8,10-trien-4-one
SMILES [?]:
c1cc2c(nc1)NC(=O)CO2
InChi [?]:
InChI=1/C7H6N2O2/c10-6-4-11-5-2-1-3-8-7(5)9-6/h1-3H,4H2,(H,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,6,10,3,8,4,5,7,9,11/rA:11nCCCCNCNCOCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s3s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H6N2O2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.67421 |
Area: | 288.147 |
Solvation: | -2.52946 |
Coulombic: | -34.1384 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 150.135 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.13 |
LogP (Chemaxon): | 0.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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