ChemDB: Chemical Search
Download
Chemical ID: 7091825
Chemical ID:
7091825
Name [?]:
None
SMILES [?]:
CC(C)(C)OC(=O)c1cc2c3ccccc3[nH]c2cn1
InChi [?]:
InChI=1/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,13,14,12,15,9,19,11,10,16,8,18,6,2,20,17,7,5/E:(1,2,3)/rA:20nCCCCOCOCCCCCCCCCNCCN/rB:s1;s2;s2;s2;s5;d6;s6;s8;d9;s10;s11;d12;s13;d14;d11s15;s16;s10s17;d18;d8s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N2O2 |
All Atoms: | 36 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.37324 |
Area: | 456.363 |
Solvation: | -2.03584 |
Coulombic: | -38.2048 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 268.311 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.6 |
LogP (Chemaxon): | 3.31 |
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 |
---|