ChemDB: Chemical Search
Download
Chemical ID: 4979947
Chemical ID:
4979947
Name [?]:
3-(4-methoxyphenyl)isoxazol-5-amine
SMILES [?]:
COc1ccc(cc1)c2cc(on2)N
InChi [?]:
InChI=1/C10H10N2O2/c1-13-8-4-2-7(3-5-8)9-6-10(11)14-12-9/h2-6H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,4,8,10,6,3,9,11,14,13,2,12/E:(2,3)(4,5)/rA:14nCOCCCCCCCCCONN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d9s12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10N2O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.71226 |
Area: | 361.003 |
Solvation: | -3.31282 |
Coulombic: | -28.312 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 190.199 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.19 |
LogP (Chemaxon): | 1.54 |
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 |
---|