Chemical ID: 4662976

c1cc(cnc1)C=CC(=O)N
Chemical ID:
4662976
Name [?]:
3-(3-pyridyl)prop-2-enamide
SMILES [?]:
c1cc(cnc1)C=CC(=O)N
InChi [?]:
InChI=1/C8H8N2O/c9-8(11)4-3-7-2-1-5-10-6-7/h1-6H,(H2,9,11)
InChi Info:
AuxInfo=1/1/N:1,2,7,8,6,4,3,9,11,5,10/rA:11nCCCCNCCCCON/rB:s1;d2;s3;d4;d1s5;s3;w7;s8;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N2O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:4.68869
Area:300.162
Solvation:-2.81536
Coulombic:-29.514
Bond Count [?]
All:11
Single:6
Double:5
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:148.162
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:-0.07
LogP (Chemaxon):-0.02

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Descriptor Annotations

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