ChemDB: Chemical Search
Download
Chemical ID: 7674852
Chemical ID:
7674852
Name [?]:
None
SMILES [?]:
CC1(C(N(C(=O)O1)CCc2cnc[nH]2)(C)O)C
InChi [?]:
InChI=1/C11H17N3O3/c1-10(2)11(3,16)14(9(15)17-10)5-4-8-6-12-7-13-8/h6-7,16H,4-5H2,1-3H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,17,15,9,8,11,13,10,5,2,3,12,14,4,6,16,7/E:(1,2)/rA:17cCCCNCOOCCCCNCNCOC/rB:s1;s2;s3;s4;d5;s2s5;s4;s8;s9;d10;s11;d12;s10s13;s3;s3;s2;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17N3O3 |
All Atoms: | 34 |
Heavy Atoms: | 17 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.66752 |
Area: | 413.426 |
Solvation: | -3.66813 |
Coulombic: | -60.4934 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.39 |
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 |
---|