ChemDB: Chemical Search
Download
Chemical ID: 5130208
Chemical ID:
5130208
Name [?]:
5-benzyl-2-methyl-benzooxazole
SMILES [?]:
Cc1nc2cc(ccc2o1)Cc3ccccc3
InChi [?]:
InChI=1/C15H13NO/c1-11-16-14-10-13(7-8-15(14)17-11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,17,7,8,11,5,2,12,6,4,9,3,10/E:(3,4)(5,6)/rA:17nCCNCCCCCCOCCCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s6;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: | 8.49517 |
Area: | 409.976 |
Solvation: | -1.75423 |
Coulombic: | -15.5476 |
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): | 4.09 |
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 |
---|