ChemDB: Chemical Search
Download
Chemical ID: 7707619
Chemical ID:
7707619
Name [?]:
None
SMILES [?]:
CCC(CO)NC(=O)c1cccc(c1)C
InChi [?]:
InChI=1/C12H17NO2/c1-3-11(8-14)13-12(15)10-6-4-5-9(2)7-10/h4-7,11,14H,3,8H2,1-2H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,15,2,11,12,10,14,4,13,9,3,7,6,5,8/rA:15cCCCCONCOCCCCCCC/rB:s1;s2;s3;s4;s3;s6;d7;s7;s9;d10;s11;d12;d9s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
| Formula: | C12H17NO2 |
| All Atoms: | 32 |
| Heavy Atoms: | 15 |
| Chiral Atoms: | None |
ZAP Information [?]
| Total: | 7.72582 |
| Area: | 404.667 |
| Solvation: | -2.39085 |
| Coulombic: | -40.1463 |
Bond Count [?]
| All: | 15 |
| Single: | 11 |
| Double: | 4 |
| Rotors: | 5 |
| Chiral: | None |
| Rigid Segments: | None |
Chemical Properties
| Molecular Weight: | None |
| H-Bond Donors: | None |
| H-Bond Acceptors: | None |
| XLogP: | 1.97 |
| 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 |
|---|