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Chemical ID: 4911277
Chemical ID:
4911277
Name [?]:
10-methyl-4-oxa-2,8,9-triazabicyclo[5.3.0]deca-9,11-dien-3-one
SMILES [?]:
Cc1c2c([nH]n1)CCOC(=O)N2
InChi [?]:
InChI=1/C7H9N3O2/c1-4-6-5(10-9-4)2-3-12-7(11)8-6/h2-3H2,1H3,(H,8,11)(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,7,8,2,4,3,10,12,6,5,11,9/rA:12nCCCCNNCCOCON/rB:s1;s2;d3;s4;d2s5;s4;s7;s8;s9;d10;s3s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H9N3O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.95861 |
Area: | 309.655 |
Solvation: | -2.78277 |
Coulombic: | -40.2865 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 167.165 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.54 |
LogP (Chemaxon): | 0.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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