Chemical ID: 4980501

COc1ccccc1c2cc(on2)N
Chemical ID:
4980501
Name [?]:
3-(2-methoxyphenyl)isoxazol-5-amine
SMILES [?]:
COc1ccccc1c2cc(on2)N
InChi [?]:
InChI=1/C10H10N2O2/c1-13-9-5-3-2-4-7(9)8-6-10(11)14-12-8/h2-6H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,10,8,9,3,11,14,13,2,12/rA:14nCOCCCCCCCCCONN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;d9s12;s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10N2O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:4.86601
Area:352.5
Solvation:-3.94649
Coulombic:-27.6691
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue