ChemDB: Chemical Search
Download
Chemical ID: 6693634
Chemical ID:
6693634
Name [?]:
None
SMILES [?]:
CC1=NCCc2c1[nH]c3c2cc(cc3)OC
InChi [?]:
InChI=1/C13H14N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-4,7,15H,5-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,13,14,5,4,11,2,12,6,10,9,7,3,8,15/rA:16nCCNCCCCNCCCCCCOC/rB:s1;d2;s3;s4;s5;s2d6;s7;s8;s6s9;d10;s11;d12;d9s13;s12;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.58753 |
Area: | 380.41 |
Solvation: | -2.92272 |
Coulombic: | -22.9804 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 214.263 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.92 |
LogP (Chemaxon): | 1.67 |
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 |
---|