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Chemical ID: 5211438
Chemical ID:
5211438
Name [?]:
(3-methylisoxazol-5-yl)-phenyl-methanone
SMILES [?]:
Cc1cc(on1)C(=O)c2ccccc2
InChi [?]:
InChI=1/C11H9NO2/c1-8-7-10(14-12-8)11(13)9-5-3-2-4-6-9/h2-7H,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,10,14,3,2,9,4,7,6,8,5/E:(3,4)(5,6)/rA:14nCCCCONCOCCCCCC/rB:s1;s2;d3;s4;d2s5;s4;d7;s7;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.98059 |
Area: | 355.401 |
Solvation: | -1.90444 |
Coulombic: | -14.6914 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 187.195 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.45 |
LogP (Chemaxon): | 1.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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