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Chemical ID: 7672202
Chemical ID:
7672202
Name [?]:
None
SMILES [?]:
CC(=O)c1ccc2c(c1)OCC(=O)N2
InChi [?]:
InChI=1/C10H9NO3/c1-6(12)7-2-3-8-9(4-7)14-5-10(13)11-8/h2-4H,5H2,1H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,5,6,9,11,2,4,7,8,12,14,3,13,10/rA:14nCCOCCCCCCOCCON/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s7s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
| Formula: | C10H9NO3 |
| All Atoms: | 23 |
| Heavy Atoms: | 14 |
| Chiral Atoms: | None |
ZAP Information [?]
| Total: | 5.09321 |
| Area: | 347.619 |
| Solvation: | -3.59728 |
| Coulombic: | -35.5535 |
Bond Count [?]
| All: | 15 |
| Single: | 10 |
| Double: | 5 |
| Rotors: | 1 |
| Chiral: | None |
| Rigid Segments: | None |
Chemical Properties
| Molecular Weight: | None |
| H-Bond Donors: | None |
| H-Bond Acceptors: | None |
| XLogP: | 0.49 |
| LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
| Chemical Mix | Source | External ID | Descriptor | Value |
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