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Chemical ID: 4980501
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
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Experimental Annotations
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Descriptor Annotations
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