Chemical ID: 5211438

Cc1cc(on1)C(=O)c2ccccc2
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

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Descriptor Annotations

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