Chemical ID: 4980316

COc1ccc(cc1OC)c2cc(on2)N
Chemical ID:
4980316
Name [?]:
3-(3,4-dimethoxyphenyl)isoxazol-5-amine
SMILES [?]:
COc1ccc(cc1OC)c2cc(on2)N
InChi [?]:
InChI=1/C11H12N2O3/c1-14-9-4-3-7(5-10(9)15-2)8-6-11(12)16-13-8/h3-6H,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,5,4,7,12,6,11,3,8,13,16,15,2,9,14/rA:16nCOCCCCCCOCCCCONN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s13;d11s14;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N2O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:4.43384
Area:396.06
Solvation:-5.46766
Coulombic:-34.3036
Bond Count [?]
All:17
Single:12
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:220.225
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.84
LogP (Chemaxon):1.29

Name Annotations

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Descriptor Annotations

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