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Chemical ID: 7707991
Chemical ID:
7707991
Name [?]:
None
SMILES [?]:
CCCCC(=O)Nc1ccc(cc1C)O
InChi [?]:
InChI=1/C12H17NO2/c1-3-4-5-12(15)13-11-7-6-10(14)8-9(11)2/h6-8,14H,3-5H2,1-2H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,14,2,3,4,10,9,12,13,11,8,5,7,15,6/rA:15nCCCCCONCCCCCCCO/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s11;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
| Formula: | C12H17NO2 |
| All Atoms: | 32 |
| Heavy Atoms: | 15 |
| Chiral Atoms: | None |
ZAP Information [?]
| Total: | 7.53381 |
| Area: | 406.489 |
| Solvation: | -2.62842 |
| Coulombic: | -36.243 |
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: | 2.06 |
| LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
| Chemical Mix | Source | External ID | Descriptor | Value |
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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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