Chemical ID: 4701412

c1ccc(cc1)C=CC(=O)c2ccccn2
Chemical ID:
4701412
Name [?]:
3-phenyl-1-(2-pyridyl)prop-2-en-1-one
SMILES [?]:
c1ccc(cc1)C=CC(=O)c2ccccn2
InChi [?]:
InChI=1/C14H11NO/c16-14(13-8-4-5-11-15-13)10-9-12-6-2-1-3-7-12/h1-11H
InChi Info:
AuxInfo=1/0/N:1,2,6,13,14,3,5,12,7,8,15,4,11,9,16,10/E:(2,3)(6,7)/rA:16nCCCCCCCCCOCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11NO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.73199
Area:388.072
Solvation:-1.96982
Coulombic:-16.6403
Bond Count [?]
All:17
Single:9
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:209.243
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.68
LogP (Chemaxon):3.1

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