Chemical ID: 4438307

c1ccnc(c1)CNC(=O)C=CC(=O)O
Chemical ID:
4438307
Name [?]:
4-oxo-4-(2-pyridylmethylamino)but-2-enoic acid
SMILES [?]:
c1ccnc(c1)CNC(=O)C=CC(=O)O
InChi [?]:
InChI=1/C10H10N2O3/c13-9(4-5-10(14)15)12-7-8-3-1-2-6-11-8/h1-6H,7H2,(H,12,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,11,12,3,7,5,9,13,4,8,10,14,15/E:(14,15)/rA:15nCCCNCCCNCOCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;w11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10N2O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.68474
Area:390.855
Solvation:-4.08663
Coulombic:-50.8402
Bond Count [?]
All:15
Single:9
Double:6
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:206.198
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:-0.08
LogP (Chemaxon):-1.28

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Descriptor Annotations

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