Chemical ID: 4980326

Cc1cc(c(cc1c2cc(on2)N)OC)OC
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

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Descriptor Annotations

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