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Chemical ID: 7007066

Chemical ID:

7007066

Name [?]:

3-(4-fluorobenzoyl)amino-3-(2-furyl)propanoic acid

SMILES [?]:

c1cc(oc1)C(CC(=O)O)NC(=O)c2ccc(cc2)F

InChi [?]:

InChI=1/C14H12FNO4/c15-10-5-3-9(4-6-10)14(19)16-11(8-13(17)18)12-2-1-7-20-12/h1-7,11H,8H2,(H,16,19)(H,17,18)

InChi Info:

AuxInfo=1/1/N:1,2,15,19,16,18,5,7,14,17,6,3,8,12,20,11,9,10,13,4/E:(3,4)(5,6)(17,18)/rA:20cCCCOCCCCOONCOCCCCCCF/rB:s1;d2;s3;d1s4;s3;s6;s7;d8;s8;s6;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₂FNO₄
All Atoms:	32
Heavy Atoms:	20
Chiral Atoms:	1

ZAP Information [?]

Total:	6.5107
Area:	458.516
Solvation:	-4.95219
Coulombic:	-57.2527

Bond Count [?]

All:	21
Single:	14
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	277.248
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	1.64
LogP (Chemaxon):	1.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value