ChemDB: Chemical Search
Download
Chemical ID: 7245652
Chemical ID:
7245652
Name [?]:
1-benzooxazol-2-yl-3-methyl-butan-1-amine
SMILES [?]:
CC(C)CC(c1nc2ccccc2o1)N
InChi [?]:
InChI=1/C12H16N2O/c1-8(2)7-9(13)12-14-10-5-3-4-6-11(10)15-12/h3-6,8-9H,7,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,10,11,9,12,4,2,5,8,13,6,15,7,14/E:(1,2)/rA:15cCCCCCCNCCCCCCON/rB:s1;s2;s2;s4;s5;d6;s7;s8;d9;s10;d11;d8s12;s6s13;s5;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16N2O |
All Atoms: | 31 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.29206 |
Area: | 392.324 |
Solvation: | -1.51604 |
Coulombic: | -28.2704 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 204.268 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 2.3 |
LogP (Chemaxon): | 2.84 |
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 |
---|