ChemDB: Chemical Search
Download
Chemical ID: 7644257
Chemical ID:
7644257
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CNCC2COc3ccc4c(c3O2)CC(=O)N4
InChi [?]:
InChI=1/C18H18N2O3/c21-17-8-14-15(20-17)6-7-16-18(14)23-13(11-22-16)10-19-9-12-4-2-1-3-5-12/h1-7,13,19H,8-11H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,15,14,20,7,9,11,4,10,17,16,13,21,18,8,23,22,12,19/E:(2,3)(4,5)/rA:23cCCCCCCCNCCCOCCCCCCOCCON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;s17;s20;d21;s16s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2O3 |
All Atoms: | 41 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.97562 |
Area: | 516.91 |
Solvation: | -3.94712 |
Coulombic: | -45.8631 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.76 |
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 |
---|