ChemDB: Chemical Search
Download
Chemical ID: 5136324
Chemical ID:
5136324
Name [?]:
None
SMILES [?]:
CC1=C2CCOC2=Nc3ccccc3O1
InChi [?]:
InChI=1/C12H11NO2/c1-8-9-6-7-14-12(9)13-10-4-2-3-5-11(10)15-8/h2-5H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,10,13,4,5,2,3,9,14,7,8,6,15/rA:15nCCCCCOCNCCCCCCO/rB:s1;d2;s3;s4;s5;s3s6;d7;s8;s9;d10;s11;d12;d9s13;s2s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.60287 |
Area: | 352.399 |
Solvation: | -3.20709 |
Coulombic: | -20.9681 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 201.221 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.72 |
LogP (Chemaxon): | 1.61 |
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 |
---|