Chemical ID: 6732981

c1cc(cnc1)C=CC(=O)[O-]
Chemical ID:
6732981
Name [?]:
3-(3-pyridyl)prop-2-enoate
SMILES [?]:
c1cc(cnc1)C=CC(=O)[O-]
InChi [?]:
InChI=1/C8H7NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-6H,(H,10,11)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,7,8,6,4,3,9,5,10,11/E:(10,11)/rA:11nCCCCNCCCCOO-/rB:s1;d2;s3;d4;d1s5;s3;w7;s8;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6NO2-
All Atoms:17
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:-36.0983
Area:295.65
Solvation:-43.4895
Coulombic:-4.35199
Bond Count [?]
All:11
Single:6
Double:5
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:148.139
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.18
LogP (Chemaxon):-0.13

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Descriptor Annotations

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