ChemDB: Chemical Search
Download
Chemical ID: 7243069
Chemical ID:
7243069
Name [?]:
4-amino-10-methyl-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-9-one
SMILES [?]:
CN1c2ccc(cc2OCC1=O)N
InChi [?]:
InChI=1/C9H10N2O2/c1-11-7-3-2-6(10)4-8(7)13-5-9(11)12/h2-4H,5,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,7,10,6,3,8,11,13,2,12,9/rA:13nCNCCCCCCOCCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s2s10;d11;s6;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 13 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 5.66845 |
Area: | 327.842 |
Solvation: | -2.52759 |
Coulombic: | -40.611 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 0 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | -0.02 |
LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|