Chemical ID: 3969991

c1ccc(cc1)C(=O)c2ccncc2
Chemical ID:
3969991
Name [?]:
phenyl-(4-pyridyl)methanone
SMILES [?]:
c1ccc(cc1)C(=O)c2ccncc2
InChi [?]:
InChI=1/C12H9NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,10,14,11,13,4,9,7,12,8/E:(2,3)(4,5)(6,7)(8,9)/rA:14nCCCCCCCOCCCNCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9NO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.62466
Area:350.732
Solvation:-2.14363
Coulombic:-14.7942
Bond Count [?]
All:15
Single:8
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:183.206
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.32
LogP (Chemaxon):1.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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