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Chemical ID: 4663727
Chemical ID:
4663727
Name [?]:
1-phenylpyridin-4-one
SMILES [?]:
c1ccc(cc1)n2ccc(=O)cc2
InChi [?]:
InChI=1/C11H9NO/c13-11-6-8-12(9-7-11)10-4-2-1-3-5-10/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,9,12,8,13,4,10,7,11/E:(2,3)(4,5)(6,7)(8,9)/rA:13nCCCCCCNCCCOCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s10;s7d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.32812 |
Area: | 335.365 |
Solvation: | -2.056 |
Coulombic: | -14.4188 |
Bond Count [?]
All: | 14 |
Single: | 8 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 171.195 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.3 |
LogP (Chemaxon): | 2.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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