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Chemical ID: 4608431
Chemical ID:
4608431
Name [?]:
5,7-dimethyl-2-oxa-8,9-diazabicyclo[4.3.0]nona-4,7,10-trien-3-one
SMILES [?]:
Cc1cc(=O)oc2c1c(n[nH]2)C
InChi [?]:
InChI=1/C8H8N2O2/c1-4-3-6(11)12-8-7(4)5(2)9-10-8/h3H,1-2H3,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,12,3,2,9,4,8,7,10,11,5,6/rA:12nCCCCOOCCCNNC/rB:s1;d2;s3;d4;s4;s6;s2d7;s8;d9;s7s10;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H8N2O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.25047 |
Area: | 307.639 |
Solvation: | -2.44049 |
Coulombic: | -27.574 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 164.161 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.45 |
LogP (Chemaxon): | 1.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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