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Chemical ID: 4980326
Chemical ID:
4980326
Name [?]:
3-(4,5-dimethoxy-2-methyl-phenyl)isoxazol-5-amine
SMILES [?]:
Cc1cc(c(cc1c2cc(on2)N)OC)OC
InChi [?]:
InChI=1/C12H14N2O3/c1-7-4-10(15-2)11(16-3)5-8(7)9-6-12(13)17-14-9/h4-6H,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,15,3,6,9,2,7,8,4,5,10,13,12,16,14,11/rA:17nCCCCCCCCCCONNOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d8s11;s10;s5;s14;s4;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2O3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.64884 |
Area: | 406.458 |
Solvation: | -5.51261 |
Coulombic: | -34.1021 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 234.251 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.28 |
LogP (Chemaxon): | 1.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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