ChemDB: Chemical Search
Download
Chemical ID: 5232858
Chemical ID:
5232858
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CCC3N2C4c5ccccc5C(=O)N4CC3
InChi [?]:
InChI=1/C19H18N2O/c22-19-16-7-3-2-6-15(16)18-20(19)12-11-14-10-9-13-5-1-4-8-17(13)21(14)18/h1-8,14,18H,9-12H2
InChi Info:
AuxInfo=1/0/N:1,14,15,2,6,13,16,3,7,8,22,21,5,9,12,17,4,11,18,20,10,19/rA:22cCCCCCCCCCNCCCCCCCCONCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s10;s11;s12;d13;s14;d15;d12s16;s17;d18;s11s18;s20;s9s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 8.4839 |
Area: | 433.21 |
Solvation: | -2.34634 |
Coulombic: | -25.7178 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 290.359 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.91 |
LogP (Chemaxon): | 3.71 |
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 |
---|