ChemDB: Chemical Search
Download
Chemical ID: 7432568
Chemical ID:
7432568
Name [?]:
None
SMILES [?]:
CN1c2ccccc2CCc3c1ccc(c3)C=O
InChi [?]:
InChI=1/C16H15NO/c1-17-15-5-3-2-4-13(15)7-8-14-10-12(11-18)6-9-16(14)17/h2-6,9-11H,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,14,9,10,13,16,17,15,8,11,3,12,2,18/rA:18nCNCCCCCCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s2s11;d12;s13;d14;d11s15;s15;d17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15NO |
All Atoms: | 33 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.69069 |
Area: | 411.033 |
Solvation: | -2.58513 |
Coulombic: | -14.2224 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 237.296 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.51 |
LogP (Chemaxon): | 3.65 |
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 |
---|