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Chemical ID: 3998159
Chemical ID:
3998159
Name [?]:
(2-hydroxyphenyl)-isoxazol-4-yl-methanone
SMILES [?]:
c1ccc(c(c1)C(=O)c2cnoc2)O
InChi [?]:
InChI=1/C10H7NO3/c12-9-4-2-1-3-8(9)10(13)7-5-11-14-6-7/h1-6,12H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,10,13,9,5,4,7,11,14,8,12/rA:14nCCCCCCCOCCNOCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;s11;d9s12;s4;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7NO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.24647 |
Area: | 347.834 |
Solvation: | -3.44936 |
Coulombic: | -27.2856 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 189.168 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.24 |
LogP (Chemaxon): | 2.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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