ChemDB: Chemical Search
Download
Chemical ID: 4573995
Chemical ID:
4573995
Name [?]:
None
SMILES [?]:
C1CCN2C(C1)C34CC2C=CC3=CC(=O)O4
InChi [?]:
InChI=1/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,10,3,13,8,12,9,5,14,7,4,15,16/rA:16cCCCNCCCCCCCCCCOO/rB:s1;s2;s3;s4;s1s5;s5;s7;s4s8;s9;d10;s7s11;d12;s13;d14;s7s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 6.79041 |
Area: | 355.849 |
Solvation: | -2.10582 |
Coulombic: | -25.2703 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 217.264 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.98 |
LogP (Chemaxon): | 0.7 |
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 |
---|