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Chemical ID: 4662655
Chemical ID:
4662655
Name [?]:
4-methyl-7-oxa-6,9-diazabicyclo[4.3.0]nona-2,4,9-trien-8-one
SMILES [?]:
Cc1ccc2nc(=O)on2c1
InChi [?]:
InChI=1/C7H6N2O2/c1-5-2-3-6-8-7(10)11-9(6)4-5/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,11,2,5,7,6,10,8,9/rA:11nCCCCCNCOONC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s5s9;d2s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H6N2O2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.01728 |
Area: | 291.285 |
Solvation: | -1.26484 |
Coulombic: | -27.2466 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 150.135 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | -0.37 |
LogP (Chemaxon): | 2.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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