ChemDB: Chemical Search
Download
Chemical ID: 5241689
Chemical ID:
5241689
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C4CCCC(=O)N4CC3
InChi [?]:
InChI=1/C15H16N2O/c18-14-7-3-6-13-15-11(8-9-17(13)14)10-4-1-2-5-12(10)16-15/h1-2,4-5,13,16H,3,6-9H2
InChi Info:
AuxInfo=1/0/N:1,2,12,6,3,11,13,18,17,5,7,4,10,14,8,9,16,15/rA:18cCCCCCCCCNCCCCCONCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s12;s13;d14;s10s14;s16;s7s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.82861 |
Area: | 397.078 |
Solvation: | -2.09835 |
Coulombic: | -27.2713 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 240.3 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.93 |
LogP (Chemaxon): | 1.99 |
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 |
---|