ChemDB: Chemical Search
Download
Chemical ID: 7383077
Chemical ID:
7383077
Name [?]:
4-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-8-methyl-chromen-2-one
SMILES [?]:
CCN1CCN(CC1)Cc2cc(=O)oc3c2ccc(c3C)O
InChi [?]:
InChI=1/C17H22N2O3/c1-3-18-6-8-19(9-7-18)11-13-10-16(21)22-17-12(2)15(20)5-4-14(13)17/h4-5,10,20H,3,6-9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,17,18,4,8,5,7,11,9,20,10,16,19,12,15,3,6,22,13,14/E:(6,7)(8,9)/rA:22nCCNCCNCCCCCCOOCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;d10;s11;d12;s12;s14;s10s15;d16;s17;d18;d15s19;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N2O3 |
All Atoms: | 44 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.7831 |
Area: | 494.835 |
Solvation: | -3.58778 |
Coulombic: | -43.8789 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 302.368 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.33 |
LogP (Chemaxon): | 1.7 |
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 |
---|