ChemDB: Chemical Search
Download
Chemical ID: 6207832
Chemical ID:
6207832
Name [?]:
None
SMILES [?]:
CC(=O)Oc1ccc(cc1)N2C(=O)C3C4CCC(C4)C3C2=O
InChi [?]:
InChI=1/C17H17NO4/c1-9(19)22-13-6-4-12(5-7-13)18-16(20)14-10-2-3-11(8-10)15(14)17(18)21/h4-7,10-11,14-15H,2-3,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,7,9,6,10,19,2,15,18,8,5,14,20,12,21,11,3,13,22,4/E:(2,3)(4,5)(6,7)(10,11)(14,15)(16,17)(20,21)/rA:22cCCOOCCCCCCNCOCCCCCCCCO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;s17;s15s18;s14s18;s11s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17NO4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 7.81349 |
Area: | 464.96 |
Solvation: | -3.8105 |
Coulombic: | -40.5092 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 299.321 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.01 |
LogP (Chemaxon): | 1.53 |
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 |
---|