ChemDB: Chemical Search
Download
Chemical ID: 7352429
Chemical ID:
7352429
Name [?]:
None
SMILES [?]:
COc1ccc2c(c1)c3c([nH]2)CCN(C3)C(=O)c4ccccc4
InChi [?]:
InChI=1/C19H18N2O2/c1-23-14-7-8-17-15(11-14)16-12-21(10-9-18(16)20-17)19(22)13-5-3-2-4-6-13/h2-8,11,20H,9-10,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,20,22,19,23,4,5,12,13,8,15,18,3,7,9,6,10,16,11,14,17,2/E:(3,4)(5,6)/rA:23nCOCCCCCCCCNCCNCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s6s10;s10;s12;s13;s9s14;s14;d16;s16;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O2 |
All Atoms: | 41 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.82562 |
Area: | 491.932 |
Solvation: | -3.47267 |
Coulombic: | -36.2793 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.12 |
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 |
---|