ChemDB: Chemical Search
Download
Chemical ID: 6320485
Chemical ID:
6320485
Name [?]:
2-benzyl-6-methyl-benzooxazole
SMILES [?]:
Cc1ccc2c(c1)oc(n2)Cc3ccccc3
InChi [?]:
InChI=1/C15H13NO/c1-11-7-8-13-14(9-11)17-15(16-13)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,17,3,4,7,11,2,12,5,6,9,10,8/E:(3,4)(5,6)/rA:17nCCCCCCCOCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s9;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.63665 |
Area: | 410.555 |
Solvation: | -1.62722 |
Coulombic: | -16.0823 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 223.27 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.41 |
LogP (Chemaxon): | 4.32 |
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 |
---|