Chemical ID: 4663727

c1ccc(cc1)n2ccc(=O)cc2
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

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Descriptor Annotations

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