Chemical ID: 7118028

c1cc(ccc1CNC(=O)C=CC(=O)[O-])F
Chemical ID:
7118028
Name [?]:
4-[(4-fluorophenyl)methylamino]-4-oxo-but-2-enoate
SMILES [?]:
c1cc(ccc1CNC(=O)C=CC(=O)[O-])F
InChi [?]:
InChI=1/C11H10FNO3/c12-9-3-1-8(2-4-9)7-13-10(14)5-6-11(15)16/h1-6H,7H2,(H,13,14)(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,5,2,4,11,12,7,6,3,9,13,16,8,10,14,15/E:(1,2)(3,4)(15,16)/rA:16nCCCCCCCNCOCCCOO-F/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;w11;s12;d13;s13;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9FNO3-
All Atoms:25
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-33.5233
Area:413.662
Solvation:-43.8648
Coulombic:-26.7826
Bond Count [?]
All:16
Single:10
Double:6
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:222.193
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.76
LogP (Chemaxon):1.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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