Chemical ID: 4979947

COc1ccc(cc1)c2cc(on2)N
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

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Descriptor Annotations

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